2,2-bis(fluoromethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxylic acid

HCID 9879640

기본 정보

표준 SMILES
O=C(O)C1=CC(CF)(CF)Oc2ccc(C(F)(F)F)cc21
InChIKey
UNXJQBYPFPFIKT-UHFFFAOYSA-N
분자식
C13H9F5O3
평균 분자량
308.2 g/mol
단동위원소 질량
308.04718496

이름 및 식별자

우선 이름
2,2-bis(fluoromethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxylic acid
IUPAC
2,2-bis(fluoromethyl)-6-(trifluoromethyl)chromene-4-carboxylic acid

이름 및 동의어

2,2-bis(fluoromethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxylic acidSCHEMBL62704802,2-bisfluoromethyl-6-trifluoromethyl-2H-1-benzopyran-4-carboxylic acid2,2-bis(fluoromethyl)- 6-(trifluoromethyl)-2 H- 1-benzopyran-4-carboxylic acid2,2-bis(fluoromethyl)-6-(trifluoromethyl)-2 H- 1-benzopyran-4-carboxylic acid2,2-bis(fluoromethyl)-6-(trifluoromethyl)-2 H-1- benzopyran- 4-carboxylic acid2,2-bis(fluoromethyl)-6-(trifluoromethyl)-2H-1-benzopyran-4-carboxylic acid

데이터베이스 식별자

PubChem CID
9879640

물성

구조 계산 물성

XLogP
2.9
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
21

관련 반응

14건

화합물 노트

불러오는 중…