(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid

C10H7F3O3 — CID 735857

IUPAC(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChIKeyRNYVTJANWYBGPW-ZZXKWVIFSA-N
MW232.16 g/mol
LogP2.68
Rot. Bonds3

About (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid

(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid (PubChem CID 735857) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
PubChem CID735857
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChIKeyRNYVTJANWYBGPW-ZZXKWVIFSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 70242654
3-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]prop-2-enoic acid
CID 169461062
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
3-[4-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]oxyphenyl]prop-2-enoic acid
CID 91006163
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
(E)-3-methylidene-6-[4-(trifluoromethoxy)phenyl]hex-5-ene-2,4-dione
CID 90906545
1-(4-iodophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 71834051
(E)-3-[4-(2,4,4-trimethylpentan-2-yloxy)phenyl]prop-2-enoic acid
CID 144989112
3-[3-bromo-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 53401687
(E)-3-[2-bromo-4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 167530765
(E)-3-[3-iodo-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170998292
(E)-3-[4-[difluoro-[4-(2,2,2-trifluoroethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
CID 89400714

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid (CID 735857) is (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid?
The InChIKey is RNYVTJANWYBGPW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+.
What are the key properties of (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid?
(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid has a molecular weight of 232.16 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 735857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).