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

C11H13FO2 — CID 84720725

IUPAC2-fluoro-4-(3-methylphenyl)butanoic acid
SMILESCc1cccc(CCC(F)C(=O)O)c1
InChIInChI=1S/C11H13FO2/c1-8-3-2-4-9(7-8)5-6-10(12)11(13)14/h2-4,7,10H,5-6H2,1H3,(H,13,14)
InChIKeyPWYUVDSBRDKLCP-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.35
Rot. Bonds4

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

2-fluoro-4-(3-methylphenyl)butanoic acid (PubChem CID 84720725) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoro-4-(3-methylphenyl)butanoic acid.

Molecular Properties

Compound Name2-fluoro-4-(3-methylphenyl)butanoic acid
PubChem CID84720725
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-4-(3-methylphenyl)butanoic acid
SMILESCc1cccc(CCC(F)C(=O)O)c1
InChIInChI=1S/C11H13FO2/c1-8-3-2-4-9(7-8)5-6-10(12)11(13)14/h2-4,7,10H,5-6H2,1H3,(H,13,14)
InChIKeyPWYUVDSBRDKLCP-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
4-(3-bromophenyl)-2-fluorobutanoic acid
CID 84729589
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-methylphenyl)butanoic acid?
The IUPAC name of 2-fluoro-4-(3-methylphenyl)butanoic acid (CID 84720725) is 2-fluoro-4-(3-methylphenyl)butanoic acid.
What is the SMILES notation for 2-fluoro-4-(3-methylphenyl)butanoic acid?
The canonical SMILES for 2-fluoro-4-(3-methylphenyl)butanoic acid is Cc1cccc(CCC(F)C(=O)O)c1.
What is the InChIKey of 2-fluoro-4-(3-methylphenyl)butanoic acid?
The InChIKey is PWYUVDSBRDKLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-3-2-4-9(7-8)5-6-10(12)11(13)14/h2-4,7,10H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-4-(3-methylphenyl)butanoic acid?
2-fluoro-4-(3-methylphenyl)butanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methylphenyl)butanoic acid is sourced from PubChem (CID 84720725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).