3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid

C13H14F2O2 — CID 82292705

IUPAC3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(F)c(F)c1)C1CCC1
InChIInChI=1S/C13H14F2O2/c14-11-5-4-9(6-12(11)15)10(7-13(16)17)8-2-1-3-8/h4-6,8,10H,1-3,7H2,(H,16,17)
InChIKeyMIDAPGLFJSANPZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.32
Rot. Bonds4

About 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid

3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid (PubChem CID 82292705) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
PubChem CID82292705
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
SMILESO=C(O)CC(c1ccc(F)c(F)c1)C1CCC1
InChIInChI=1S/C13H14F2O2/c14-11-5-4-9(6-12(11)15)10(7-13(16)17)8-2-1-3-8/h4-6,8,10H,1-3,7H2,(H,16,17)
InChIKeyMIDAPGLFJSANPZ-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 117457802
3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
(1R,5R)-1,5-di(cyclobutyl)-1,5-bis(3,4,5-trifluorophenyl)pentan-3-one
CID 97304173
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid?
The IUPAC name of 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid (CID 82292705) is 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid?
The canonical SMILES for 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid is O=C(O)CC(c1ccc(F)c(F)c1)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid?
The InChIKey is MIDAPGLFJSANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-11-5-4-9(6-12(11)15)10(7-13(16)17)8-2-1-3-8/h4-6,8,10H,1-3,7H2,(H,16,17).
What are the key properties of 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid?
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid has a molecular weight of 240.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 82292705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).