3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid

C11H12ClFO2 — CID 105396237

IUPAC3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-6(7(2)11(14)15)9-5-8(13)3-4-10(9)12/h3-7H,1-2H3,(H,14,15)
InChIKeyPGICLEGBNIQHSD-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.30
Rot. Bonds3

About 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid

3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid (PubChem CID 105396237) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
PubChem CID105396237
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-6(7(2)11(14)15)9-5-8(13)3-4-10(9)12/h3-7H,1-2H3,(H,14,15)
InChIKeyPGICLEGBNIQHSD-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 105393869
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
methyl 3-(2-chloro-5-fluorophenyl)butanoate
CID 171372743
2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid (CID 105396237) is 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid is CC(C(=O)O)C(C)c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid?
The InChIKey is PGICLEGBNIQHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-6(7(2)11(14)15)9-5-8(13)3-4-10(9)12/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid?
3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid has a molecular weight of 230.67 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 105396237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).