1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane

C15H24F4O — CID 20802022

IUPAC1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(OC(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H24F4O/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)20-14(16)15(17,18)19/h10-14H,2-9H2,1H3
InChIKeyUGOUOYWOWBRFGE-UHFFFAOYSA-N
MW296.35 g/mol
LogP5.25
Rot. Bonds3

About 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane

1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane (PubChem CID 20802022) has the molecular formula C15H24F4O and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
PubChem CID20802022
Molecular FormulaC15H24F4O
Molecular Weight296.35 g/mol
Exact Mass296.18
IUPAC Name1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
SMILESCC1CCC(C2CCC(OC(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H24F4O/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)20-14(16)15(17,18)19/h10-14H,2-9H2,1H3
InChIKeyUGOUOYWOWBRFGE-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.35
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]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

(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
CID 545355
1-Methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 556851
1-Ethoxy-4-(4-pentylcyclohexyl)cyclohexane
CID 559127
(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
CID 559130
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-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2,2-Difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156
1-(2-Fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 18344037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
The IUPAC name of 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane (CID 20802022) is 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane is CC1CCC(C2CCC(OC(F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
The InChIKey is UGOUOYWOWBRFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F4O/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)20-14(16)15(17,18)19/h10-14H,2-9H2,1H3.
What are the key properties of 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane has a molecular weight of 296.35 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane is sourced from PubChem (CID 20802022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).