2,2,2-trifluoroethoxycyclohexane

C8H13F3O — CID 15806350

IUPAC2,2,2-trifluoroethoxycyclohexane
SMILESFC(F)(F)COC1CCCCC1
InChIInChI=1S/C8H13F3O/c9-8(10,11)6-12-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyMIANOHLNXAPLBA-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.90
Rot. Bonds2

About 2,2,2-trifluoroethoxycyclohexane

2,2,2-trifluoroethoxycyclohexane (PubChem CID 15806350) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethoxycyclohexane.

Molecular Properties

Compound Name2,2,2-trifluoroethoxycyclohexane
PubChem CID15806350
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2,2,2-trifluoroethoxycyclohexane
SMILESFC(F)(F)COC1CCCCC1
InChIInChI=1S/C8H13F3O/c9-8(10,11)6-12-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyMIANOHLNXAPLBA-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoroethoxycyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethoxycyclohexane?
The IUPAC name of 2,2,2-trifluoroethoxycyclohexane (CID 15806350) is 2,2,2-trifluoroethoxycyclohexane.
What is the SMILES notation for 2,2,2-trifluoroethoxycyclohexane?
The canonical SMILES for 2,2,2-trifluoroethoxycyclohexane is FC(F)(F)COC1CCCCC1.
What is the InChIKey of 2,2,2-trifluoroethoxycyclohexane?
The InChIKey is MIANOHLNXAPLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c9-8(10,11)6-12-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2,2,2-trifluoroethoxycyclohexane?
2,2,2-trifluoroethoxycyclohexane has a molecular weight of 182.18 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethoxycyclohexane is sourced from PubChem (CID 15806350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).