4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine

C9H17F2NO — CID 167021565

IUPAC4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine
SMILESCNC1(C)CCC(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-9(12-2)5-3-7(4-6-9)13-8(10)11/h7-8,12H,3-6H2,1-2H3
InChIKeyYVUBXYCJTRURBJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.15
Rot. Bonds3

About 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine

4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine (PubChem CID 167021565) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine
PubChem CID167021565
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine
SMILESCNC1(C)CCC(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-9(12-2)5-3-7(4-6-9)13-8(10)11/h7-8,12H,3-6H2,1-2H3
InChIKeyYVUBXYCJTRURBJ-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethoxy)-N,1-dimethylcyclohexan-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,1-dimethylcyclohexan-1-amine?
The IUPAC name of 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine (CID 167021565) is 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine is CNC1(C)CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
The InChIKey is YVUBXYCJTRURBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(12-2)5-3-7(4-6-9)13-8(10)11/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N,1-dimethylcyclohexan-1-amine is sourced from PubChem (CID 167021565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).