2-(2-fluorophenyl)-3-methylbutanoic acid

C11H13FO2 — CID 62492426

IUPAC2-(2-fluorophenyl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-5-3-4-6-9(8)12/h3-7,10H,1-2H3,(H,13,14)
InChIKeyHJSXENHAVLBVTQ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.65
Rot. Bonds3

About 2-(2-fluorophenyl)-3-methylbutanoic acid

2-(2-fluorophenyl)-3-methylbutanoic acid (PubChem CID 62492426) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-methylbutanoic acid
PubChem CID62492426
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-(2-fluorophenyl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)c1ccccc1F
InChIInChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-5-3-4-6-9(8)12/h3-7,10H,1-2H3,(H,13,14)
InChIKeyHJSXENHAVLBVTQ-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluorophenyl)-(methylamino)methyl]-3-methylbutanoic acid
CID 116959808
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
3-(2-fluorophenyl)butan-2-one
CID 66436572
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
3-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 79391328
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2,3-diamino-3-(2-fluorophenyl)propanoic acid
CID 116942285
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-methylbutanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-3-methylbutanoic acid (CID 62492426) is 2-(2-fluorophenyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-3-methylbutanoic acid is CC(C)C(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-methylbutanoic acid?
The InChIKey is HJSXENHAVLBVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-5-3-4-6-9(8)12/h3-7,10H,1-2H3,(H,13,14).
What are the key properties of 2-(2-fluorophenyl)-3-methylbutanoic acid?
2-(2-fluorophenyl)-3-methylbutanoic acid has a molecular weight of 196.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-methylbutanoic acid is sourced from PubChem (CID 62492426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).