NCIS: Hawaiʻi was reported by anonymous sources in February 2021 as a potential fourth series in the NCIS franchise, and unlike other franchise entries, it was not planned to start with a backdoor pilot within another existing series.

The show's title was officially changed to include the ʻokina (NCIS: Hawaiʻi) in order to reflect the correct spelling used in the Hawaiian language.

The series was the first in the NCIS franchise to be built around casting a female lead, with the character tentatively named Jane Tennant during the casting search before Vanessa Lachey was announced as the first cast member.

Guest star Beulah Koale, who previously starred on Hawaii Five-0, appeared in the series' first two-part story, and crossover guests Wilmer Valderrama and Katrina Law also came from the NCIS franchise, with Law having likewise starred on Hawaii Five-0.

The production used facilities originally built for Hawaii Five-0, which had concluded in 2020, and filming began on Oahu's North Shore with a traditional Hawaiian blessing ceremony on June 16, 2021.

On January 25, 2022, actors Beulah Koale and Alex Tarrant performed a haka on the NCIS: Hawaiʻi office set to honor the crew's work during the filming of the first season.

The cancellation of the series after three seasons had a significant negative impact on Hawaii's film industry, leaving between 350 and 400 people without employment.

Fans launched campaigns and petitions, including one on Change.org titled 'Save NCIS: Hawaiʻi on CBS,' in an attempt to reverse the cancellation, though these efforts were unsuccessful.