1-(difluoromethoxy)-4-methylidenecyclohexane

C8H12F2O — CID 91269689

IUPAC1-(difluoromethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OC(F)F)CC1
InChIInChI=1S/C8H12F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h7-8H,1-5H2
InChIKeyFZACYHBUYUGURU-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.72
Rot. Bonds2

About 1-(difluoromethoxy)-4-methylidenecyclohexane

1-(difluoromethoxy)-4-methylidenecyclohexane (PubChem CID 91269689) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylidenecyclohexane
PubChem CID91269689
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-(difluoromethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OC(F)F)CC1
InChIInChI=1S/C8H12F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h7-8H,1-5H2
InChIKeyFZACYHBUYUGURU-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylidenecyclohexane?
The IUPAC name of 1-(difluoromethoxy)-4-methylidenecyclohexane (CID 91269689) is 1-(difluoromethoxy)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylidenecyclohexane?
The canonical SMILES for 1-(difluoromethoxy)-4-methylidenecyclohexane is C=C1CCC(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-methylidenecyclohexane?
The InChIKey is FZACYHBUYUGURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h7-8H,1-5H2.
What are the key properties of 1-(difluoromethoxy)-4-methylidenecyclohexane?
1-(difluoromethoxy)-4-methylidenecyclohexane has a molecular weight of 162.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylidenecyclohexane is sourced from PubChem (CID 91269689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).