Basic information
- CAS
2053-95-4- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1F- InChIKey
FKRPWDOQYZQUKC-UHFFFAOYSA-N- Molecular formula
- C14H9F4NO
- Average molar mass
- 283.22 g/mol
- Monoisotopic mass
- 283.06202656
Names & identifiers
- Preferred name
- Benzamide, 2-fluoro-N-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
- English name
- 2-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%
- Molecular formula
- C14H9F4NO
- Molecular weight
- 283.22
Names & synonyms
2053-95-42-fluoro-N-[3-(trifluoromethyl)phenyl]benzamideBenzamide, 2-fluoro-N-(3-(trifluoromethyl)phenyl)-2-Fluoro-N-(3-(trifluoromethyl)phenyl)benzamideBRN 2992055N-(3-(Trifluoromethyl)phenyl)-2-fluorobenzamideDTXSID701745254-12-00-01847 (Beilstein Handbook Reference)RefChem:321411DTXCID7097016ZINC29724starbld0013156
Show more names
Benzamide, 2-fluoro-N-[3-(trifluoromethyl)phenyl]-2-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%
MFCD00045081STK006408ZINC00029724AKOS002700448O=C(c1ccccc1F)Nc1cccc(c1)C(F)(F)FST042765ZINC0000000297242FLUORON(3(TRIFLUOROMETHYL)PHENYL)BENZAMIDE
Database identifiers
- CAS
2053-95-4- PubChem CID
- 200421
- DTXSID
DTXSID70174525
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 264.7 · 264.7±40.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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