(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid

C11H11FO2 — CID 91998911

IUPAC(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H,13,14)/b8-7-
InChIKeyZQOYUDNEHKLRDX-FPLPWBNLSA-N
MW194.20 g/mol
LogP2.70
Rot. Bonds2

About (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid

(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid (PubChem CID 91998911) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
PubChem CID91998911
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H,13,14)/b8-7-
InChIKeyZQOYUDNEHKLRDX-FPLPWBNLSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(4-fluorophenyl)-2-methylbut-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

2-fluoro-3-(4-fluorophenyl)but-2-enoic acid
CID 79729079
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
2-(4-fluorophenyl)-4-oxopent-2-enoic acid
CID 142782295
(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide
CID 3033185
4-(4-fluoro-N-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992368
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
CID 70352167
(E)-3-(4-fluorophenyl)-2-methyl-3-[[(Z)-2-methyl-1-methylsulfanylbut-1-enyl]amino]prop-2-enoic acid
CID 144527761
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
chloromethane;4-fluorobenzamide
CID 158476805
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid (CID 91998911) is (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid is C/C(C(=O)O)=C(\C)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid?
The InChIKey is ZQOYUDNEHKLRDX-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H,13,14)/b8-7-.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid?
(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid has a molecular weight of 194.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid is sourced from PubChem (CID 91998911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).