4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

C9H13F3N2 — CID 154453767

IUPAC4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCNC1(C)C=CC(N)=CC1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-8(14-2)4-3-6(13)5-7(8)9(10,11)12/h3-5,7,14H,13H2,1-2H3
InChIKeyBHCDBCVKKMINCO-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.56
Rot. Bonds1

About 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 154453767) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID154453767
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCNC1(C)C=CC(N)=CC1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-8(14-2)4-3-6(13)5-7(8)9(10,11)12/h3-5,7,14H,13H2,1-2H3
InChIKeyBHCDBCVKKMINCO-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine 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-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (CID 154453767) is 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is CNC1(C)C=CC(N)=CC1C(F)(F)F.
What is the InChIKey of 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is BHCDBCVKKMINCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-8(14-2)4-3-6(13)5-7(8)9(10,11)12/h3-5,7,14H,13H2,1-2H3.
What are the key properties of 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 206.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154453767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).