2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid

C8H12F2O2 — CID 118062279

IUPAC2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CC(F)(F)C1
InChIInChI=1S/C8H12F2O2/c1-7(2,6(11)12)5-3-8(9,10)4-5/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyCRKYZUMKAXCYHR-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.14
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid

2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid (PubChem CID 118062279) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
PubChem CID118062279
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CC(F)(F)C1
InChIInChI=1S/C8H12F2O2/c1-7(2,6(11)12)5-3-8(9,10)4-5/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyCRKYZUMKAXCYHR-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
2-methyl-2-(3,3,5-trimethylcyclohexyl)propanoic acid
CID 68802925
2-(3-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732891
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
CID 146177848
acetic acid;3,3-difluorocyclobutane-1-thiol
CID 175132258
trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747
3,3-difluoro-6-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 172915955
2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
1,1-difluoro-3-(trifluoromethyl)cyclobutane
CID 149228087
1,1-difluoro-3-(2-methylpentan-2-yl)cyclobutane
CID 126762633
2-methyl-2-(2-methylcyclopropyl)propanoic acid
CID 57203804

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid (CID 118062279) is 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid?
The InChIKey is CRKYZUMKAXCYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-7(2,6(11)12)5-3-8(9,10)4-5/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid?
2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid has a molecular weight of 178.18 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid is sourced from PubChem (CID 118062279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).