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

C15H26F2O — CID 54360002

IUPAC2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane
SMILESCC1CCC(CCC2CCC(C)C(F)(F)O2)CC1
InChIInChI=1S/C15H26F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h11-14H,3-10H2,1-2H3
InChIKeyULVXEMFGQGOOPH-UHFFFAOYSA-N
MW260.37 g/mol
LogP5.00
Rot. Bonds3

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

2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane (PubChem CID 54360002) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane
PubChem CID54360002
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane
SMILESCC1CCC(CCC2CCC(C)C(F)(F)O2)CC1
InChIInChI=1S/C15H26F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h11-14H,3-10H2,1-2H3
InChIKeyULVXEMFGQGOOPH-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane?
The IUPAC name of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane (CID 54360002) is 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane.
What is the SMILES notation for 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane?
The canonical SMILES for 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane is CC1CCC(CCC2CCC(C)C(F)(F)O2)CC1.
What is the InChIKey of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane?
The InChIKey is ULVXEMFGQGOOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane?
2,2-difluoro-3-methyl-6-[2-(4-methylcyclohexyl)ethyl]oxane has a molecular weight of 260.37 g/mol, XLogP of 5.00, 3 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-[2-(4-methylcyclohexyl)ethyl]oxane is sourced from PubChem (CID 54360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).