(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid

C10H10ClFO3 — CID 103548134

IUPAC(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFO3/c1-6(4-10(13)14)15-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyIJBDXTKDWRVBGL-ZCFIWIBFSA-N
MW232.64 g/mol
LogP2.72
Rot. Bonds4

About (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid

(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid (PubChem CID 103548134) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
PubChem CID103548134
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFO3/c1-6(4-10(13)14)15-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyIJBDXTKDWRVBGL-ZCFIWIBFSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
3-(3-fluoro-4-nitrophenoxy)butanoic acid
CID 115000279
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
3-(4-chloro-3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 175702140
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
3-(4-ethylphenoxy)butanoic acid
CID 43535961
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103548238
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid (CID 103548134) is (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid?
The InChIKey is IJBDXTKDWRVBGL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-6(4-10(13)14)15-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid?
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid is sourced from PubChem (CID 103548134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).