1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane

C8H13F3O — CID 67892196

IUPAC1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane
SMILESCC1CCC(OC(F)F)C(F)C1
InChIInChI=1S/C8H13F3O/c1-5-2-3-7(6(9)4-5)12-8(10)11/h5-8H,2-4H2,1H3
InChIKeyHWOPJNLXOKGKAU-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.75
Rot. Bonds2

About 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane

1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane (PubChem CID 67892196) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane
PubChem CID67892196
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane
SMILESCC1CCC(OC(F)F)C(F)C1
InChIInChI=1S/C8H13F3O/c1-5-2-3-7(6(9)4-5)12-8(10)11/h5-8H,2-4H2,1H3
InChIKeyHWOPJNLXOKGKAU-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane?
The IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane (CID 67892196) is 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane is CC1CCC(OC(F)F)C(F)C1.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane?
The InChIKey is HWOPJNLXOKGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-5-2-3-7(6(9)4-5)12-8(10)11/h5-8H,2-4H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane?
1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane has a molecular weight of 182.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoro-4-methylcyclohexane is sourced from PubChem (CID 67892196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).