(3R)-3-(3-fluorophenyl)butanoic acid

C10H11FO2 — CID 28791547

IUPAC(3R)-3-(3-fluorophenyl)butanoic acid
SMILESC[C@H](CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyCVFYWUHOFYTCNJ-SSDOTTSWSA-N
MW182.19 g/mol
LogP2.40
Rot. Bonds3

About (3R)-3-(3-fluorophenyl)butanoic acid

(3R)-3-(3-fluorophenyl)butanoic acid (PubChem CID 28791547) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)butanoic acid
PubChem CID28791547
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(3R)-3-(3-fluorophenyl)butanoic acid
SMILESC[C@H](CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyCVFYWUHOFYTCNJ-SSDOTTSWSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
3-[3-(fluoromethyl)phenyl]butanoic acid
CID 84666853
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
3-(3-chlorophenyl)butanoic acid
CID 71683749
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid
CID 119190914
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
4-[3-(3-fluorophenyl)butanoylamino]-5-phenylpentanoic acid
CID 120547220
(2S)-2-[[2-[3-(3-fluorophenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695191
2-[1-(3-fluorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65057333

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)butanoic acid?
The IUPAC name of (3R)-3-(3-fluorophenyl)butanoic acid (CID 28791547) is (3R)-3-(3-fluorophenyl)butanoic acid.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)butanoic acid?
The canonical SMILES for (3R)-3-(3-fluorophenyl)butanoic acid is C[C@H](CC(=O)O)c1cccc(F)c1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)butanoic acid?
The InChIKey is CVFYWUHOFYTCNJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)butanoic acid?
(3R)-3-(3-fluorophenyl)butanoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)butanoic acid is sourced from PubChem (CID 28791547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).