4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid

C10H14F2O3 — CID 121379860

IUPAC4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC2CC2(F)F)CC1
InChIInChI=1S/C10H14F2O3/c11-10(12)5-8(10)15-7-3-1-6(2-4-7)9(13)14/h6-8H,1-5H2,(H,13,14)
InChIKeyPTUOVEDVIZLFGY-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.05
Rot. Bonds3

About 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid

4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid (PubChem CID 121379860) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid
PubChem CID121379860
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC2CC2(F)F)CC1
InChIInChI=1S/C10H14F2O3/c11-10(12)5-8(10)15-7-3-1-6(2-4-7)9(13)14/h6-8H,1-5H2,(H,13,14)
InChIKeyPTUOVEDVIZLFGY-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
4-(2-hydroxycycloheptyl)oxycyclohexane-1-carboxylic acid
CID 114451121
4-trimethylsilyloxycyclohexane-1-carboxylic acid
CID 142719809
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid
CID 114450999
4-[(4-formyloxycyclohexyl)diazenyl]cyclohexane-1-carboxylic acid
CID 154588556
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
CID 115017061
4-(2,2-dimethylpropoxy)cyclohexane-1-carboxylic acid
CID 166848730
4-(3-hydroxypropoxy)cyclohexane-1-carboxylic acid
CID 70832253
cyclopentanecarboxylic acid
CID 18840

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid (CID 121379860) is 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid is O=C(O)C1CCC(OC2CC2(F)F)CC1.
What is the InChIKey of 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid?
The InChIKey is PTUOVEDVIZLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3/c11-10(12)5-8(10)15-7-3-1-6(2-4-7)9(13)14/h6-8H,1-5H2,(H,13,14).
What are the key properties of 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid?
4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid has a molecular weight of 220.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropyl)oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 121379860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).