N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

C8H10F3NO — CID 149496642

IUPACN-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2,4-6,12H,3H2,1H3
InChIKeyZGDZAIKPNXKVCD-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 149496642) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID149496642
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2,4-6,12H,3H2,1H3
InChIKeyZGDZAIKPNXKVCD-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-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-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (CID 149496642) is N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is CNC1C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is ZGDZAIKPNXKVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2,4-6,12H,3H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 149496642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).