1,1-difluoro-4-methoxy-4-methylcyclohexane

C8H14F2O — CID 122579761

IUPAC1,1-difluoro-4-methoxy-4-methylcyclohexane
SMILESCOC1(C)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O/c1-7(11-2)3-5-8(9,10)6-4-7/h3-6H2,1-2H3
InChIKeyXFVUEKLKENWBNQ-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.60
Rot. Bonds1

About 1,1-difluoro-4-methoxy-4-methylcyclohexane

1,1-difluoro-4-methoxy-4-methylcyclohexane (PubChem CID 122579761) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-4-methylcyclohexane
PubChem CID122579761
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1,1-difluoro-4-methoxy-4-methylcyclohexane
SMILESCOC1(C)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2O/c1-7(11-2)3-5-8(9,10)6-4-7/h3-6H2,1-2H3
InChIKeyXFVUEKLKENWBNQ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-4-methylcyclohexane?
The IUPAC name of 1,1-difluoro-4-methoxy-4-methylcyclohexane (CID 122579761) is 1,1-difluoro-4-methoxy-4-methylcyclohexane.
What is the SMILES notation for 1,1-difluoro-4-methoxy-4-methylcyclohexane?
The canonical SMILES for 1,1-difluoro-4-methoxy-4-methylcyclohexane is COC1(C)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-methoxy-4-methylcyclohexane?
The InChIKey is XFVUEKLKENWBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-7(11-2)3-5-8(9,10)6-4-7/h3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-4-methoxy-4-methylcyclohexane?
1,1-difluoro-4-methoxy-4-methylcyclohexane has a molecular weight of 164.19 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-4-methylcyclohexane is sourced from PubChem (CID 122579761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).