기본 정보
- CAS
150225-65-3- 표준 SMILES
CC(=O)Nc1cc(NC(C)=O)cc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1- InChIKey
NPGWPCYQBUMSNZ-UHFFFAOYSA-N- 분자식
- C19H11F17N2O3
- 평균 분자량
- 638.3 g/mol
- 단동위원소 질량
- 638.049821
이름 및 식별자
- 우선 이름
- Benzene-1,3-diamine, N,N-diacetyl-5-[3,4,4,4-tetrafluoro-2-(1,2,2,2-tetrafluoro-1-trifluoromethylethyl)-1,3-di(trifluoromethyl)-1-butenyloxy]-
- IUPAC
- N-[3-acetamido-5-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyphenyl]acetamide
이름 및 동의어
150225-65-3N,N'-(5-{[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}-1,3-phenylene)diacetamideN,N'-(5-[[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy]-1,3-phenylene)diacetamideDTXSID20896745NPGWPCYQBUMSNZ-UHFFFAOYSA-NSTK332207AKOS005439566Benzene-1,3-diamine, N,N-diacetyl-5-[3,4,4,4-tetrafluoro-2-(1,2,2,2-tetrafluoro-1-trifluoromethylethyl)-1,3-di(trifluoromethyl)-1-butenyloxy]-NS00109797N,N'-(5-{[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}benzene-1,3-diyl)diacetamideN-(3-(Acetylamino)-5-([3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy)phenyl)acetamide #
데이터베이스 식별자
- CAS
150225-65-3- PubChem CID
- 538901
- DTXSID
DTXSID20896745
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 915
실험 및 물리화학적 성질
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
관련 반응
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