1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane

C12H22F2O — CID 118200687

IUPAC1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane
SMILESCC(C)OCC1CCC(C(C)(F)F)CC1
InChIInChI=1S/C12H22F2O/c1-9(2)15-8-10-4-6-11(7-5-10)12(3,13)14/h9-11H,4-8H2,1-3H3
InChIKeyZVVMAQIKUYAPIW-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.87
Rot. Bonds4

About 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane

1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane (PubChem CID 118200687) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane
PubChem CID118200687
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane
SMILESCC(C)OCC1CCC(C(C)(F)F)CC1
InChIInChI=1S/C12H22F2O/c1-9(2)15-8-10-4-6-11(7-5-10)12(3,13)14/h9-11H,4-8H2,1-3H3
InChIKeyZVVMAQIKUYAPIW-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
Difluorothromboxane
CID 129674200
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
cis-(1R,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638556
trans-(1S,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638557
1-Methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 73818635
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
(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-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane (CID 118200687) is 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane is CC(C)OCC1CCC(C(C)(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The InChIKey is ZVVMAQIKUYAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-9(2)15-8-10-4-6-11(7-5-10)12(3,13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane?
1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane has a molecular weight of 220.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-4-(propan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 118200687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).