2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid

C11H12F2O2 — CID 114832240

IUPAC2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
SMILESCC(Cc1ccccc1F)C(F)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-7(10(13)11(14)15)6-8-4-2-3-5-9(8)12/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyIIUSKGDEGSUMDX-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.43
Rot. Bonds4

About 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid

2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid (PubChem CID 114832240) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
PubChem CID114832240
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
SMILESCC(Cc1ccccc1F)C(F)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-7(10(13)11(14)15)6-8-4-2-3-5-9(8)12/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyIIUSKGDEGSUMDX-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-methyl-4-phenylbutanoic acid
CID 81357532
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 24706071
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid?
The IUPAC name of 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid (CID 114832240) is 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid?
The canonical SMILES for 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid is CC(Cc1ccccc1F)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid?
The InChIKey is IIUSKGDEGSUMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(10(13)11(14)15)6-8-4-2-3-5-9(8)12/h2-5,7,10H,6H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid?
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid is sourced from PubChem (CID 114832240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).