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

C10H8F2O3 — CID 703938

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H8F2O3/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-6,10H,(H,13,14)/b6-3+
InChIKeyOWLKYWTYLFJOGX-ZZXKWVIFSA-N
MW214.17 g/mol
LogP2.39
Rot. Bonds4

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

(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid (PubChem CID 703938) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid
PubChem CID703938
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H8F2O3/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-6,10H,(H,13,14)/b6-3+
InChIKeyOWLKYWTYLFJOGX-ZZXKWVIFSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octinoxate
CID 5355130
P-Coumaric Acid
CID 637542
Yangonin
CID 5281575
4-Methoxycinnamic Acid
CID 699414
Amiloxate
CID 1549789
Cinoxate
CID 5373773
1-(4-Methoxyphenyl)-1-penten-3-one
CID 5803450
3,4-Dimethoxycinnamic acid
CID 717531
p-METHOXYCINNAMALDEHYDE
CID 641294
Methyl-P-Coumarate
CID 5319562
Ethyl methoxycinnamate
CID 5281783
1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one
CID 5373780

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid (CID 703938) is (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid?
The InChIKey is OWLKYWTYLFJOGX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-6,10H,(H,13,14)/b6-3+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid?
(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid has a molecular weight of 214.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 703938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).