(2E)-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoic acid
Basic information
- CAS
58110-45-5- Standard SMILES
O=C(O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1- InChIKey
OKBNJJZCIKXUFE-FNORWQNLSA-N- Molecular formula
- C14H9F3O3
- Average molar mass
- 282.21 g/mol
- Monoisotopic mass
- 282.05037863
Names & identifiers
- Preferred name
- (2E)-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoic acid
- IUPAC
- (E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
Names & synonyms
(2E)-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoic acid3-{5-[3-(trifluoromethyl)phenyl]-2-furyl}acrylic acid62806-37-5(E)-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylic acid(2E)-3-{5-[3-(trifluoromethyl)phenyl]-2-furyl}acrylic acid(2E)-3-(5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FURYL)ACRYLIC ACIDMLS000685674CHEMBL1508725SCHEMBL14300748OKBNJJZCIKXUFE-FNORWQNLSA-NHMS1415L12HMS2607D12
Show more names
BBL007599MFCD01312568STK344187AKOS000109204IDI1_009177SMR000312638VS-01686DB-015094
Database identifiers
- CAS
58110-45-5- PubChem CID
- 736688
- ChEMBL
CHEMBL1508725- EC Number
- 167-640-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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