1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane

C11H18F2O — CID 58719042

IUPAC1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C11H18F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyXPBDLJXDTRJMSC-ONEGZZNKSA-N
MW204.26 g/mol
LogP3.61
Rot. Bonds3

About 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane

1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane (PubChem CID 58719042) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
PubChem CID58719042
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C11H18F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyXPBDLJXDTRJMSC-ONEGZZNKSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane (CID 58719042) is 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is XPBDLJXDTRJMSC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H18F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h3-4,9-10H,5-8H2,1-2H3/b4-3+.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane?
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 204.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 58719042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).