N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine

C9H16F3NO — CID 163418992

IUPACN,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine
SMILESCNC1(C)CCC(OC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-8(13-2)5-3-7(4-6-8)14-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyAGVNDAFZTYWCOC-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.44
Rot. Bonds2

About N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine

N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine (PubChem CID 163418992) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine
PubChem CID163418992
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine
SMILESCNC1(C)CCC(OC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-8(13-2)5-3-7(4-6-8)14-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyAGVNDAFZTYWCOC-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-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 N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine?
The IUPAC name of N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine (CID 163418992) is N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine.
What is the SMILES notation for N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine?
The canonical SMILES for N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine is CNC1(C)CCC(OC(F)(F)F)CC1.
What is the InChIKey of N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine?
The InChIKey is AGVNDAFZTYWCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(13-2)5-3-7(4-6-8)14-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine?
N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(trifluoromethoxy)cyclohexan-1-amine is sourced from PubChem (CID 163418992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).