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

C11H12ClFO2 — CID 84726327

IUPAC4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
SMILESCC(F)(CCc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H12ClFO2/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)
InChIKeyIQDAJCDYZGZKDB-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.09
Rot. Bonds4

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

4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid (PubChem CID 84726327) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
PubChem CID84726327
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid
SMILESCC(F)(CCc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C11H12ClFO2/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)
InChIKeyIQDAJCDYZGZKDB-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
(2R)-3-amino-2-[(3-chlorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 12013692
2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
CID 94698283
2-amino-7-(3-chlorophenyl)-2,5-dimethylheptanoic acid
CID 150170631
6-(3-chlorophenyl)-2,2-dimethylhexan-3-one
CID 64505258
5-[(3-chlorophenyl)methoxy]-2,2-dimethylpentanoic acid
CID 65260329
2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91482736
4-(3-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 105486089
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261502

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid?
The IUPAC name of 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid (CID 84726327) is 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid?
The canonical SMILES for 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid is CC(F)(CCc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid?
The InChIKey is IQDAJCDYZGZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/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 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid?
4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid has a molecular weight of 230.67 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-fluoro-2-methylbutanoic acid is sourced from PubChem (CID 84726327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).