2-cyclohexyloxy-2,2-difluoroacetate

C8H11F2O3- — CID 164746573

IUPAC2-cyclohexyloxy-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)OC1CCCCC1
InChIInChI=1S/C8H12F2O3/c9-8(10,7(11)12)13-6-4-2-1-3-5-6/h6H,1-5H2,(H,11,12)/p-1
InChIKeyITKWGTAYNISHKN-UHFFFAOYSA-M
MW193.17 g/mol
LogP0.68
Rot. Bonds3

About 2-cyclohexyloxy-2,2-difluoroacetate

2-cyclohexyloxy-2,2-difluoroacetate (PubChem CID 164746573) has the molecular formula C8H11F2O3- and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-cyclohexyloxy-2,2-difluoroacetate.

Molecular Properties

Compound Name2-cyclohexyloxy-2,2-difluoroacetate
PubChem CID164746573
Molecular FormulaC8H11F2O3-
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-cyclohexyloxy-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)OC1CCCCC1
InChIInChI=1S/C8H12F2O3/c9-8(10,7(11)12)13-6-4-2-1-3-5-6/h6H,1-5H2,(H,11,12)/p-1
InChIKeyITKWGTAYNISHKN-UHFFFAOYSA-M
XLogP0.68
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyloxy-2,2-difluoroacetate 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

3-cyclohexyloxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 164746907
2-(2-adamantyloxy)-2,2-difluoroacetate
CID 164747622
cyclohexylazanium;2,2,2-trifluoroacetate
CID 69179131
cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025
3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
CID 164746791
trifluoromethoxycyclobutane
CID 118087158
cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate
CID 98044014
2-cyclohexyloxy-2-cyclopropylpropanoic acid
CID 82238646
1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340942
4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 164747567
tricyclohexyloxymethylsilane
CID 173155170
dicyclononyl carbonate
CID 139618210

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2,2-difluoroacetate?
The IUPAC name of 2-cyclohexyloxy-2,2-difluoroacetate (CID 164746573) is 2-cyclohexyloxy-2,2-difluoroacetate.
What is the SMILES notation for 2-cyclohexyloxy-2,2-difluoroacetate?
The canonical SMILES for 2-cyclohexyloxy-2,2-difluoroacetate is O=C([O-])C(F)(F)OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-2,2-difluoroacetate?
The InChIKey is ITKWGTAYNISHKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12F2O3/c9-8(10,7(11)12)13-6-4-2-1-3-5-6/h6H,1-5H2,(H,11,12)/p-1.
What are the key properties of 2-cyclohexyloxy-2,2-difluoroacetate?
2-cyclohexyloxy-2,2-difluoroacetate has a molecular weight of 193.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2,2-difluoroacetate is sourced from PubChem (CID 164746573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).