3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid

C14H16ClFO2 — CID 117429853

IUPAC3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
SMILESCCc1cc(C(CC(=O)O)C2CC2)cc(Cl)c1F
InChIInChI=1S/C14H16ClFO2/c1-2-8-5-10(6-12(15)14(8)16)11(7-13(17)18)9-3-4-9/h5-6,9,11H,2-4,7H2,1H3,(H,17,18)
InChIKeyCGQOFEXOLWFUOG-UHFFFAOYSA-N
MW270.73 g/mol
LogP4.01
Rot. Bonds5

About 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid

3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid (PubChem CID 117429853) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
PubChem CID117429853
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
SMILESCCc1cc(C(CC(=O)O)C2CC2)cc(Cl)c1F
InChIInChI=1S/C14H16ClFO2/c1-2-8-5-10(6-12(15)14(8)16)11(7-13(17)18)9-3-4-9/h5-6,9,11H,2-4,7H2,1H3,(H,17,18)
InChIKeyCGQOFEXOLWFUOG-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
CID 117388767
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-(3-chloro-2,5-difluoro-6-hydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117443249
3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
3-(3-chloro-2,4,5-trifluorophenyl)-3-cyclopropylpropanoic acid
CID 117107877
3-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopropylpropanoic acid
CID 117423160
3-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-3-cyclopropylpropanoic acid
CID 117478025
3-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclopropylpropanoic acid
CID 117107864
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
CID 117344917

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid (CID 117429853) is 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid is CCc1cc(C(CC(=O)O)C2CC2)cc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid?
The InChIKey is CGQOFEXOLWFUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c1-2-8-5-10(6-12(15)14(8)16)11(7-13(17)18)9-3-4-9/h5-6,9,11H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid?
3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid has a molecular weight of 270.73 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117429853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).