4-(difluoromethoxy)-N-methylcyclohexan-1-amine

C8H15F2NO — CID 59453686

IUPAC4-(difluoromethoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H15F2NO/c1-11-6-2-4-7(5-3-6)12-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyVRGURBNZSXFVDD-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.76
Rot. Bonds3

About 4-(difluoromethoxy)-N-methylcyclohexan-1-amine

4-(difluoromethoxy)-N-methylcyclohexan-1-amine (PubChem CID 59453686) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-methylcyclohexan-1-amine
PubChem CID59453686
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-(difluoromethoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H15F2NO/c1-11-6-2-4-7(5-3-6)12-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyVRGURBNZSXFVDD-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethoxy)-N-methylcyclohexan-1-amine 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 4-(difluoromethoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(difluoromethoxy)-N-methylcyclohexan-1-amine (CID 59453686) is 4-(difluoromethoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(difluoromethoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(difluoromethoxy)-N-methylcyclohexan-1-amine is CNC1CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-N-methylcyclohexan-1-amine?
The InChIKey is VRGURBNZSXFVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-6-2-4-7(5-3-6)12-8(9)10/h6-8,11H,2-5H2,1H3.
What are the key properties of 4-(difluoromethoxy)-N-methylcyclohexan-1-amine?
4-(difluoromethoxy)-N-methylcyclohexan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 59453686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).