2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid

C14H18ClFO2 — CID 63541856

IUPAC2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFO2/c1-3-7-14(8-4-2,13(17)18)11-6-5-10(16)9-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyIEAZUSNQLPSHDG-UHFFFAOYSA-N
MW272.75 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid

2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid (PubChem CID 63541856) has the molecular formula C14H18ClFO2 and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid
PubChem CID63541856
Molecular FormulaC14H18ClFO2
Molecular Weight272.75 g/mol
Exact Mass272.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFO2/c1-3-7-14(8-4-2,13(17)18)11-6-5-10(16)9-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyIEAZUSNQLPSHDG-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
2-(2-chloro-4-fluorophenyl)-2-propylpentanenitrile
CID 63540906
2-[(2-chloro-4-fluorophenyl)methyl]-2-ethylhexanoic acid
CID 63402527
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
3-amino-1-(2-chloro-4-fluorophenyl)-3-methylhexan-2-one
CID 116557072
ethyl 3-amino-3-(2-chloro-4-fluorophenyl)butanoate
CID 79849164
1-bromo-2-(2-chloro-4-fluorophenyl)-1,1-difluoropropan-2-ol
CID 107140448
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
2-(2-chloro-4-fluorophenoxy)-2-methylbutanoic acid
CID 114993360
2-[2-amino-3-(trifluoromethyl)phenyl]-2-propylpentanoic acid
CID 106702342
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid (CID 63541856) is 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid is CCCC(CCC)(C(=O)O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid?
The InChIKey is IEAZUSNQLPSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO2/c1-3-7-14(8-4-2,13(17)18)11-6-5-10(16)9-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid?
2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid has a molecular weight of 272.75 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-propylpentanoic acid is sourced from PubChem (CID 63541856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).