기본 정보
- CAS
1152439-73-0- 표준 SMILES
CC1(C)OC(=O)C(C(=O)Cc2cc(F)c(F)cc2F)C(=O)O1- InChIKey
QQLYZNCMELOPFL-UHFFFAOYSA-N- 분자식
- C14H11F3O5
- 평균 분자량
- 316.23 g/mol
- 단동위원소 질량
- 316.05585793
이름 및 식별자
- 우선 이름
- 2,2-Dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
- 영어명
- 2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
- 분자식
- C14H11F3O5
- 분자량
- 316.23
이름 및 동의어
1152439-73-0Sitagliptin Impurity 312,2-dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione2,2-DIMETHYL-5-(2-(2,4,5-TRIFLUOROPHENYL)ACETYL)-1,3-DIOXANE-4,6-DIONEJF5Z8G7R4S2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dioneMFCD145256821,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-(2,4,5-trifluorophenyl)acetyl)-1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-Dioxane-4,6-dione, 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-Dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-2,2-Dimethyl-5-((1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-1,3-dioxane-4,6-dione
이름 더 보기
2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4...2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
2,2-Dimethyl-5-[[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-1,3-dioxane-4,6-dioneUNII-JF5Z8G7R4SSCHEMBL411648QQLYZNCMELOPFL-UHFFFAOYSA-N2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxan-4,6-dione2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)-acetyl]-[1,3]dioxane-4,6-dione5-[2-(2,4,5-trifluorophenyl)-acetyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
데이터베이스 식별자
- CAS
1152439-73-0- PubChem CID
- 49784075
- UNII
- JF5Z8G7R4S
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 69.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 473
물리화학적 성질
- 끓는 점
- 490.2 · 490.2±45.0 °C(Predicted)
- 밀도
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.4 · 8.40±0.40(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사8 곳
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