2-(3-chlorophenyl)-3-fluorobutanoic acid

C10H10ClFO2 — CID 105470514

IUPAC2-(3-chlorophenyl)-3-fluorobutanoic acid
SMILESCC(F)C(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClFO2/c1-6(12)9(10(13)14)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,13,14)
InChIKeyZCGINIXMVQHAKJ-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-chlorophenyl)-3-fluorobutanoic acid

2-(3-chlorophenyl)-3-fluorobutanoic acid (PubChem CID 105470514) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-fluorobutanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-fluorobutanoic acid
PubChem CID105470514
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name2-(3-chlorophenyl)-3-fluorobutanoic acid
SMILESCC(F)C(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClFO2/c1-6(12)9(10(13)14)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,13,14)
InChIKeyZCGINIXMVQHAKJ-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
2-(3-chlorophenyl)-3,3-dimethylbutanoic acid
CID 83823565
3-(3-chlorophenyl)butanoic acid
CID 71683749
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(3-chlorophenyl)-fluoromethanol
CID 70239224
3-(3-chlorophenyl)-2,2,3-trifluoropropanoic acid
CID 54478502
4-(3-chlorophenyl)-5-methylhexan-3-one
CID 83924568
(1S)-1-(3-chlorophenyl)-1-hydroxy-3-methylbutan-2-one
CID 129386810

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-fluorobutanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-3-fluorobutanoic acid (CID 105470514) is 2-(3-chlorophenyl)-3-fluorobutanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-3-fluorobutanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-3-fluorobutanoic acid is CC(F)C(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-fluorobutanoic acid?
The InChIKey is ZCGINIXMVQHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6(12)9(10(13)14)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,13,14).
What are the key properties of 2-(3-chlorophenyl)-3-fluorobutanoic acid?
2-(3-chlorophenyl)-3-fluorobutanoic acid has a molecular weight of 216.64 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-fluorobutanoic acid is sourced from PubChem (CID 105470514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).