2-(4,5-difluoro-2-methoxyphenyl)butanoic acid

C11H12F2O3 — CID 84793557

IUPAC2-(4,5-difluoro-2-methoxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(F)c(F)cc1OC
InChIInChI=1S/C11H12F2O3/c1-3-6(11(14)15)7-4-8(12)9(13)5-10(7)16-2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyJLRCXWKYDCIRON-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.55
Rot. Bonds4

About 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid

2-(4,5-difluoro-2-methoxyphenyl)butanoic acid (PubChem CID 84793557) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-(4,5-difluoro-2-methoxyphenyl)butanoic acid
PubChem CID84793557
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name2-(4,5-difluoro-2-methoxyphenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(F)c(F)cc1OC
InChIInChI=1S/C11H12F2O3/c1-3-6(11(14)15)7-4-8(12)9(13)5-10(7)16-2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyJLRCXWKYDCIRON-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,5-difluorophenyl)butanoic acid
CID 130134766
methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
CID 116964440
2-(4-bromo-2,5-difluorophenyl)butanoic acid
CID 84811511
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
3-amino-2-(3-fluoro-5-methoxy-4-methylphenyl)propanoic acid
CID 115005903
3-amino-2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propanoic acid
CID 117426862
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
3-amino-3-(4-fluoro-2,5-dimethoxyphenyl)propanoic acid
CID 117359297
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
5-(2-amino-1-carboxyethyl)-2,4-dimethoxybenzoic acid
CID 117426058

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid?
The IUPAC name of 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid (CID 84793557) is 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid.
What is the SMILES notation for 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid?
The canonical SMILES for 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid is CCC(C(=O)O)c1cc(F)c(F)cc1OC.
What is the InChIKey of 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid?
The InChIKey is JLRCXWKYDCIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-3-6(11(14)15)7-4-8(12)9(13)5-10(7)16-2/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid?
2-(4,5-difluoro-2-methoxyphenyl)butanoic acid has a molecular weight of 230.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2-methoxyphenyl)butanoic acid is sourced from PubChem (CID 84793557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).