2,3-difluoro-1-methoxy-4-methylidenecyclohexane

C8H12F2O — CID 129171108

IUPAC2,3-difluoro-1-methoxy-4-methylidenecyclohexane
SMILESC=C1CCC(OC)C(F)C1F
InChIInChI=1S/C8H12F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h6-8H,1,3-4H2,2H3
InChIKeyUMCRRZFUIOAGDC-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.03
Rot. Bonds1

About 2,3-difluoro-1-methoxy-4-methylidenecyclohexane

2,3-difluoro-1-methoxy-4-methylidenecyclohexane (PubChem CID 129171108) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-methylidenecyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-methylidenecyclohexane
PubChem CID129171108
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2,3-difluoro-1-methoxy-4-methylidenecyclohexane
SMILESC=C1CCC(OC)C(F)C1F
InChIInChI=1S/C8H12F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h6-8H,1,3-4H2,2H3
InChIKeyUMCRRZFUIOAGDC-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 2,3-difluoro-1-methoxy-4-methylidenecyclohexane?
The IUPAC name of 2,3-difluoro-1-methoxy-4-methylidenecyclohexane (CID 129171108) is 2,3-difluoro-1-methoxy-4-methylidenecyclohexane.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-methylidenecyclohexane?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-methylidenecyclohexane is C=C1CCC(OC)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-methylidenecyclohexane?
The InChIKey is UMCRRZFUIOAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h6-8H,1,3-4H2,2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-methylidenecyclohexane?
2,3-difluoro-1-methoxy-4-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 2,3-difluoro-1-methoxy-4-methylidenecyclohexane is sourced from PubChem (CID 129171108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).