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

C11H12F2O2 — CID 83855515

IUPAC2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
SMILESCC(F)(CCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-11(13,10(14)15)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyBJMSEEWDDBQCLF-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.57
Rot. Bonds4

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

2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid (PubChem CID 83855515) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
PubChem CID83855515
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
SMILESCC(F)(CCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-11(13,10(14)15)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyBJMSEEWDDBQCLF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
CID 84726327
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2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 84752374
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
trans-(1S,2S)-2-[1-amino-1-carboxy-3-(3-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 10707942
5-[2-(3-fluorophenyl)ethyl]-5-hydroxy-6-methyl-3-oxoheptanoic acid
CID 22572843
2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
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CID 174720332

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid?
The IUPAC name of 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid (CID 83855515) is 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid is CC(F)(CCc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid?
The InChIKey is BJMSEEWDDBQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-11(13,10(14)15)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid?
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.57, 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-fluorophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 83855515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).