2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane

C13H22F2O — CID 54496843

IUPAC2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane
SMILESCC1CCC(C2CCC(C)C(F)(F)O2)CC1
InChIInChI=1S/C13H22F2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14,15)16-12/h9-12H,3-8H2,1-2H3
InChIKeyXZSCZUNOBMBIFR-UHFFFAOYSA-N
MW232.31 g/mol
LogP4.22
Rot. Bonds1

About 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane

2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane (PubChem CID 54496843) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane
PubChem CID54496843
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane
SMILESCC1CCC(C2CCC(C)C(F)(F)O2)CC1
InChIInChI=1S/C13H22F2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14,15)16-12/h9-12H,3-8H2,1-2H3
InChIKeyXZSCZUNOBMBIFR-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.22
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
(2R,4S)-2-cyclohexyl-4-fluorooxane
CID 146168810
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
Difluorothromboxane
CID 129674200
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-Fluoroethyl)-4-(4-methoxycyclohexyl)cyclohexane
CID 18344037
1-Ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18344108
1-Nonoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026510

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane?
The IUPAC name of 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane (CID 54496843) is 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane.
What is the SMILES notation for 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane?
The canonical SMILES for 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane is CC1CCC(C2CCC(C)C(F)(F)O2)CC1.
What is the InChIKey of 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane?
The InChIKey is XZSCZUNOBMBIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14,15)16-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane?
2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane has a molecular weight of 232.31 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-6-(4-methylcyclohexyl)oxane is sourced from PubChem (CID 54496843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).