3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid

C13H14ClFO2 — CID 107883030

IUPAC3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)c(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C13H14ClFO2/c1-13(12(16)17,9-3-4-9)7-8-2-5-10(14)11(15)6-8/h2,5-6,9H,3-4,7H2,1H3,(H,16,17)
InChIKeyWLEVWYQDUZUUQI-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid

3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid (PubChem CID 107883030) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
PubChem CID107883030
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCC(Cc1ccc(Cl)c(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C13H14ClFO2/c1-13(12(16)17,9-3-4-9)7-8-2-5-10(14)11(15)6-8/h2,5-6,9H,3-4,7H2,1H3,(H,16,17)
InChIKeyWLEVWYQDUZUUQI-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
2-[(4-chloro-3-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 107889838
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005
2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83154745
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
3-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148148
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896
2-(4-chloro-3-fluorophenyl)-1-(4-propylcyclohexyl)ethanone
CID 107883999
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid (CID 107883030) is 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid is CC(Cc1ccc(Cl)c(F)c1)(C(=O)O)C1CC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid?
The InChIKey is WLEVWYQDUZUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c1-13(12(16)17,9-3-4-9)7-8-2-5-10(14)11(15)6-8/h2,5-6,9H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid?
3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid has a molecular weight of 256.70 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid is sourced from PubChem (CID 107883030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).