1-(difluoromethoxy)-4-methylcyclohexane

C8H14F2O — CID 18710872

IUPAC1-(difluoromethoxy)-4-methylcyclohexane
SMILESCC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H14F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h6-8H,2-5H2,1H3
InChIKeyYNPHIMLDTYQERC-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.80
Rot. Bonds2

About 1-(difluoromethoxy)-4-methylcyclohexane

1-(difluoromethoxy)-4-methylcyclohexane (PubChem CID 18710872) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylcyclohexane
PubChem CID18710872
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1-(difluoromethoxy)-4-methylcyclohexane
SMILESCC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H14F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h6-8H,2-5H2,1H3
InChIKeyYNPHIMLDTYQERC-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylcyclohexane?
The IUPAC name of 1-(difluoromethoxy)-4-methylcyclohexane (CID 18710872) is 1-(difluoromethoxy)-4-methylcyclohexane.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylcyclohexane?
The canonical SMILES for 1-(difluoromethoxy)-4-methylcyclohexane is CC1CCC(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-methylcyclohexane?
The InChIKey is YNPHIMLDTYQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h6-8H,2-5H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-methylcyclohexane?
1-(difluoromethoxy)-4-methylcyclohexane has a molecular weight of 164.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylcyclohexane is sourced from PubChem (CID 18710872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).