1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane

C20H32F6O2 — CID 20583759

IUPAC1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane
SMILESCCCOC1CCC(C(C2CCC(OCC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C20H32F6O2/c1-3-13-28-17-11-7-15(8-12-17)18(19(21,22)23,20(24,25)26)14-5-9-16(10-6-14)27-4-2/h14-17H,3-13H2,1-2H3
InChIKeyGQYHWZMHDQBFPJ-UHFFFAOYSA-N
MW418.46 g/mol
LogP6.68
Rot. Bonds7

About 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane

1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane (PubChem CID 20583759) has the molecular formula C20H32F6O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane
PubChem CID20583759
Molecular FormulaC20H32F6O2
Molecular Weight418.46 g/mol
Exact Mass418.23
IUPAC Name1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane
SMILESCCCOC1CCC(C(C2CCC(OCC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C20H32F6O2/c1-3-13-28-17-11-7-15(8-12-17)18(19(21,22)23,20(24,25)26)14-5-9-16(10-6-14)27-4-2/h14-17H,3-13H2,1-2H3
InChIKeyGQYHWZMHDQBFPJ-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane 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

1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl] acetate
CID 18728939
1-Nonoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026510
1-Propoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026514
1-Methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026517
1-Ethoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026535
1-Octoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026562

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane?
The IUPAC name of 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane (CID 20583759) is 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane.
What is the SMILES notation for 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane?
The canonical SMILES for 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane is CCCOC1CCC(C(C2CCC(OCC)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane?
The InChIKey is GQYHWZMHDQBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F6O2/c1-3-13-28-17-11-7-15(8-12-17)18(19(21,22)23,20(24,25)26)14-5-9-16(10-6-14)27-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane?
1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane has a molecular weight of 418.46 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 20583759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).