3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid

C15H18F2O2 — CID 117424402

IUPAC3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid
SMILESCC(F)(F)Cc1cccc(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H18F2O2/c1-15(16,17)9-10-3-2-4-12(7-10)13(8-14(18)19)11-5-6-11/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyVVIYGPSYEJPLOB-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.85
Rot. Bonds6

About 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid

3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid (PubChem CID 117424402) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid
PubChem CID117424402
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid
SMILESCC(F)(F)Cc1cccc(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H18F2O2/c1-15(16,17)9-10-3-2-4-12(7-10)13(8-14(18)19)11-5-6-11/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyVVIYGPSYEJPLOB-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117405507
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CID 117402253
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117440490
3-[3-(2,2-difluoropropyl)phenyl]-2-methylpropanoic acid
CID 84703295
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
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3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 117495361
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
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3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid (CID 117424402) is 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid is CC(F)(F)Cc1cccc(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid?
The InChIKey is VVIYGPSYEJPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-15(16,17)9-10-3-2-4-12(7-10)13(8-14(18)19)11-5-6-11/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid?
3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid has a molecular weight of 268.30 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid is sourced from PubChem (CID 117424402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).