3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid

C12H12ClFO2 — CID 117358615

IUPAC3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C12H12ClFO2/c13-9-2-1-3-10(14)12(9)8(6-11(15)16)7-4-5-7/h1-3,7-8H,4-6H2,(H,15,16)
InChIKeyVTWYRVRLAYSQHN-UHFFFAOYSA-N
MW242.68 g/mol
LogP3.45
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid

3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid (PubChem CID 117358615) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
PubChem CID117358615
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C12H12ClFO2/c13-9-2-1-3-10(14)12(9)8(6-11(15)16)7-4-5-7/h1-3,7-8H,4-6H2,(H,15,16)
InChIKeyVTWYRVRLAYSQHN-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-6-chlorophenyl)-3-cyclopropylpropanoic acid
CID 117488697
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol
CID 82089092
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-(3-chloro-2,5-difluoro-6-hydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117443249
4-(2-chloro-6-fluorophenyl)-3-cyclopropylbutanoic acid
CID 82089060
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid
CID 56977935
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid
CID 117348801

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid (CID 117358615) is 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid is O=C(O)CC(c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid?
The InChIKey is VTWYRVRLAYSQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c13-9-2-1-3-10(14)12(9)8(6-11(15)16)7-4-5-7/h1-3,7-8H,4-6H2,(H,15,16).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid?
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid has a molecular weight of 242.68 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117358615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).