(3S)-3-(4-fluorophenyl)pent-4-enoic acid

C11H11FO2 — CID 124635167

IUPAC(3S)-3-(4-fluorophenyl)pent-4-enoic acid
SMILESC=C[C@H](CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h2-6,8H,1,7H2,(H,13,14)/t8-/m1/s1
InChIKeyHIZWENKMFXSYOS-MRVPVSSYSA-N
MW194.20 g/mol
LogP2.57
Rot. Bonds4

About (3S)-3-(4-fluorophenyl)pent-4-enoic acid

(3S)-3-(4-fluorophenyl)pent-4-enoic acid (PubChem CID 124635167) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)pent-4-enoic acid.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)pent-4-enoic acid
PubChem CID124635167
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name(3S)-3-(4-fluorophenyl)pent-4-enoic acid
SMILESC=C[C@H](CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h2-6,8H,1,7H2,(H,13,14)/t8-/m1/s1
InChIKeyHIZWENKMFXSYOS-MRVPVSSYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-(4-fluorophenyl)pent-4-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

(3S)-3-phenylpent-4-enoic acid
CID 92981953
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
3-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)propanoic acid
CID 82129491
1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
CID 134992008
5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351309
5-(4-fluorophenyl)hex-1-en-3-one
CID 144795052
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)pent-4-enoic acid?
The IUPAC name of (3S)-3-(4-fluorophenyl)pent-4-enoic acid (CID 124635167) is (3S)-3-(4-fluorophenyl)pent-4-enoic acid.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)pent-4-enoic acid?
The canonical SMILES for (3S)-3-(4-fluorophenyl)pent-4-enoic acid is C=C[C@H](CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)pent-4-enoic acid?
The InChIKey is HIZWENKMFXSYOS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-2-8(7-11(13)14)9-3-5-10(12)6-4-9/h2-6,8H,1,7H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)pent-4-enoic acid?
(3S)-3-(4-fluorophenyl)pent-4-enoic acid has a molecular weight of 194.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)pent-4-enoic acid is sourced from PubChem (CID 124635167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).