4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane

C16H27F3O — CID 57074785

IUPAC4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane
SMILESCCC1(OCC(F)(F)F)CCC(C2CCCCC2)CC1
InChIInChI=1S/C16H27F3O/c1-2-15(20-12-16(17,18)19)10-8-14(9-11-15)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyDWGRUVRHYSPMHG-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.48
Rot. Bonds4

About 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane

4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 57074785) has the molecular formula C16H27F3O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID57074785
Molecular FormulaC16H27F3O
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane
SMILESCCC1(OCC(F)(F)F)CCC(C2CCCCC2)CC1
InChIInChI=1S/C16H27F3O/c1-2-15(20-12-16(17,18)19)10-8-14(9-11-15)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyDWGRUVRHYSPMHG-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane 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 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane (CID 57074785) is 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane is CCC1(OCC(F)(F)F)CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is DWGRUVRHYSPMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O/c1-2-15(20-12-16(17,18)19)10-8-14(9-11-15)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3.
What are the key properties of 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane?
4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 292.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 57074785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).