4-(2-fluoro-3-methylphenyl)butanoic acid

C11H13FO2 — CID 83698983

IUPAC4-(2-fluoro-3-methylphenyl)butanoic acid
SMILESCc1cccc(CCCC(=O)O)c1F
InChIInChI=1S/C11H13FO2/c1-8-4-2-5-9(11(8)12)6-3-7-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyRQJHKHKSYDGFSA-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.54
Rot. Bonds4

About 4-(2-fluoro-3-methylphenyl)butanoic acid

4-(2-fluoro-3-methylphenyl)butanoic acid (PubChem CID 83698983) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenyl)butanoic acid
PubChem CID83698983
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name4-(2-fluoro-3-methylphenyl)butanoic acid
SMILESCc1cccc(CCCC(=O)O)c1F
InChIInChI=1S/C11H13FO2/c1-8-4-2-5-9(11(8)12)6-3-7-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyRQJHKHKSYDGFSA-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-difluorophenyl)butanoic acid
CID 59862325
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
4-[3-fluoro-2-(fluoromethyl)phenyl]butanoic acid
CID 117305173
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
2-(2-fluoro-3-pentylphenyl)acetic acid
CID 78325101
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
1-chloro-3-(2-fluoro-3-methylphenyl)propan-2-one
CID 130881857
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenyl)butanoic acid?
The IUPAC name of 4-(2-fluoro-3-methylphenyl)butanoic acid (CID 83698983) is 4-(2-fluoro-3-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-fluoro-3-methylphenyl)butanoic acid?
The canonical SMILES for 4-(2-fluoro-3-methylphenyl)butanoic acid is Cc1cccc(CCCC(=O)O)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenyl)butanoic acid?
The InChIKey is RQJHKHKSYDGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-4-2-5-9(11(8)12)6-3-7-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(2-fluoro-3-methylphenyl)butanoic acid?
4-(2-fluoro-3-methylphenyl)butanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenyl)butanoic acid is sourced from PubChem (CID 83698983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).