2-(4-chlorophenyl)-4-fluorobutanoic acid

C10H10ClFO2 — CID 80694462

IUPAC2-(4-chlorophenyl)-4-fluorobutanoic acid
SMILESO=C(O)C(CCF)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO2/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14/h1-4,9H,5-6H2,(H,13,14)
InChIKeyZOEPMIUYNQNVHB-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-chlorophenyl)-4-fluorobutanoic acid

2-(4-chlorophenyl)-4-fluorobutanoic acid (PubChem CID 80694462) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-fluorobutanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-fluorobutanoic acid
PubChem CID80694462
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name2-(4-chlorophenyl)-4-fluorobutanoic acid
SMILESO=C(O)C(CCF)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO2/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14/h1-4,9H,5-6H2,(H,13,14)
InChIKeyZOEPMIUYNQNVHB-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
2-(4-chlorophenyl)-4-ethylsulfonylbutanoic acid
CID 79434809
2-(4-chlorophenyl)-4-ethoxybutanoic acid
CID 79440541
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590790
(2R)-2-(4-chlorophenyl)-4-[di(propan-2-yl)amino]butanoic acid
CID 27281938
2-(4-chlorophenyl)-4-hydroxyhexanoic acid
CID 79441149
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
2-(4-chlorophenyl)-4-methylheptanoic acid
CID 79434395

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-fluorobutanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-fluorobutanoic acid (CID 80694462) is 2-(4-chlorophenyl)-4-fluorobutanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-fluorobutanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-fluorobutanoic acid is O=C(O)C(CCF)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-fluorobutanoic acid?
The InChIKey is ZOEPMIUYNQNVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14/h1-4,9H,5-6H2,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)-4-fluorobutanoic acid?
2-(4-chlorophenyl)-4-fluorobutanoic acid has a molecular weight of 216.64 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-fluorobutanoic acid is sourced from PubChem (CID 80694462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).