1,3-difluoro-5-methoxy-2-methylidenecyclohexane

C8H12F2O — CID 91554036

IUPAC1,3-difluoro-5-methoxy-2-methylidenecyclohexane
SMILESC=C1C(F)CC(OC)CC1F
InChIInChI=1S/C8H12F2O/c1-5-7(9)3-6(11-2)4-8(5)10/h6-8H,1,3-4H2,2H3
InChIKeyNKQNDLBPGWVMGZ-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.03
Rot. Bonds1

About 1,3-difluoro-5-methoxy-2-methylidenecyclohexane

1,3-difluoro-5-methoxy-2-methylidenecyclohexane (PubChem CID 91554036) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1,3-difluoro-5-methoxy-2-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-difluoro-5-methoxy-2-methylidenecyclohexane
PubChem CID91554036
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1,3-difluoro-5-methoxy-2-methylidenecyclohexane
SMILESC=C1C(F)CC(OC)CC1F
InChIInChI=1S/C8H12F2O/c1-5-7(9)3-6(11-2)4-8(5)10/h6-8H,1,3-4H2,2H3
InChIKeyNKQNDLBPGWVMGZ-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.03
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 1,3-difluoro-5-methoxy-2-methylidenecyclohexane?
The IUPAC name of 1,3-difluoro-5-methoxy-2-methylidenecyclohexane (CID 91554036) is 1,3-difluoro-5-methoxy-2-methylidenecyclohexane.
What is the SMILES notation for 1,3-difluoro-5-methoxy-2-methylidenecyclohexane?
The canonical SMILES for 1,3-difluoro-5-methoxy-2-methylidenecyclohexane is C=C1C(F)CC(OC)CC1F.
What is the InChIKey of 1,3-difluoro-5-methoxy-2-methylidenecyclohexane?
The InChIKey is NKQNDLBPGWVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-5-7(9)3-6(11-2)4-8(5)10/h6-8H,1,3-4H2,2H3.
What are the key properties of 1,3-difluoro-5-methoxy-2-methylidenecyclohexane?
1,3-difluoro-5-methoxy-2-methylidenecyclohexane has a molecular weight of 162.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methoxy-2-methylidenecyclohexane is sourced from PubChem (CID 91554036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).