1-[difluoro(methoxy)methyl]-3-methylcyclohexane

C9H16F2O — CID 18725563

IUPAC1-[difluoro(methoxy)methyl]-3-methylcyclohexane
SMILESCOC(F)(F)C1CCCC(C)C1
InChIInChI=1S/C9H16F2O/c1-7-4-3-5-8(6-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3
InChIKeyMKTCMERFVNKEJC-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.05
Rot. Bonds2

About 1-[difluoro(methoxy)methyl]-3-methylcyclohexane

1-[difluoro(methoxy)methyl]-3-methylcyclohexane (PubChem CID 18725563) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-3-methylcyclohexane
PubChem CID18725563
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-[difluoro(methoxy)methyl]-3-methylcyclohexane
SMILESCOC(F)(F)C1CCCC(C)C1
InChIInChI=1S/C9H16F2O/c1-7-4-3-5-8(6-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3
InChIKeyMKTCMERFVNKEJC-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[difluoro(methoxy)methyl]-3-methylcyclohexane 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]-3-methylcyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-3-methylcyclohexane (CID 18725563) is 1-[difluoro(methoxy)methyl]-3-methylcyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-3-methylcyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-3-methylcyclohexane is COC(F)(F)C1CCCC(C)C1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-3-methylcyclohexane?
The InChIKey is MKTCMERFVNKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7-4-3-5-8(6-7)9(10,11)12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-3-methylcyclohexane?
1-[difluoro(methoxy)methyl]-3-methylcyclohexane has a molecular weight of 178.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-3-methylcyclohexane is sourced from PubChem (CID 18725563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).