4-(2,3-difluorophenyl)butanoic acid

C10H10F2O2 — CID 59862325

IUPAC4-(2,3-difluorophenyl)butanoic acid
SMILESO=C(O)CCCc1cccc(F)c1F
InChIInChI=1S/C10H10F2O2/c11-8-5-1-3-7(10(8)12)4-2-6-9(13)14/h1,3,5H,2,4,6H2,(H,13,14)
InChIKeySWWNVUHFLDBXNF-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.37
Rot. Bonds4

About 4-(2,3-difluorophenyl)butanoic acid

4-(2,3-difluorophenyl)butanoic acid (PubChem CID 59862325) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)butanoic acid
PubChem CID59862325
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name4-(2,3-difluorophenyl)butanoic acid
SMILESO=C(O)CCCc1cccc(F)c1F
InChIInChI=1S/C10H10F2O2/c11-8-5-1-3-7(10(8)12)4-2-6-9(13)14/h1,3,5H,2,4,6H2,(H,13,14)
InChIKeySWWNVUHFLDBXNF-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
4-[3-fluoro-2-(fluoromethyl)phenyl]butanoic acid
CID 117305173
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
3-(2-fluorophenyl)propanoic acid
CID 2063866
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
2-(2,3-difluorophenyl)ethyl-methylcarbamic acid
CID 68944191

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)butanoic acid?
The IUPAC name of 4-(2,3-difluorophenyl)butanoic acid (CID 59862325) is 4-(2,3-difluorophenyl)butanoic acid.
What is the SMILES notation for 4-(2,3-difluorophenyl)butanoic acid?
The canonical SMILES for 4-(2,3-difluorophenyl)butanoic acid is O=C(O)CCCc1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)butanoic acid?
The InChIKey is SWWNVUHFLDBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-8-5-1-3-7(10(8)12)4-2-6-9(13)14/h1,3,5H,2,4,6H2,(H,13,14).
What are the key properties of 4-(2,3-difluorophenyl)butanoic acid?
4-(2,3-difluorophenyl)butanoic acid has a molecular weight of 200.18 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)butanoic acid is sourced from PubChem (CID 59862325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).