3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid

C14H17FO2 — CID 117344917

IUPAC3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C)c(F)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17FO2/c1-8-5-9(2)14(15)12(6-8)11(7-13(16)17)10-3-4-10/h5-6,10-11H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyWKMCUXQLQNNOKK-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.41
Rot. Bonds4

About 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid

3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid (PubChem CID 117344917) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
PubChem CID117344917
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C)c(F)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H17FO2/c1-8-5-9(2)14(15)12(6-8)11(7-13(16)17)10-3-4-10/h5-6,10-11H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyWKMCUXQLQNNOKK-UHFFFAOYSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-(3-chloro-2,4,5-trifluorophenyl)-3-cyclopropylpropanoic acid
CID 117107877
4-(2-carboxy-1-cyclopropylethyl)-2,3,6-trifluorobenzoic acid
CID 117465468
3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82045661
3-cyclopropyl-3-[2,3-difluoro-5-(fluoromethyl)phenyl]propanoic acid
CID 117398801
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-cyclopropyl-3-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)propanoic acid
CID 117420226
2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
CID 117388767
3-cyclopropyl-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117433647
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid (CID 117344917) is 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid is Cc1cc(C)c(F)c(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid?
The InChIKey is WKMCUXQLQNNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-8-5-9(2)14(15)12(6-8)11(7-13(16)17)10-3-4-10/h5-6,10-11H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid?
3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid has a molecular weight of 236.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117344917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).