(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C15H16F6N2 — CID 174139095

IUPAC(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESC[C@@H]1CC(N)=CC(C(F)(F)F)=C1C1=CC=C(N)CC1C(F)(F)F
InChIInChI=1S/C15H16F6N2/c1-7-4-9(23)6-12(15(19,20)21)13(7)10-3-2-8(22)5-11(10)14(16,17)18/h2-3,6-7,11H,4-5,22-23H2,1H3/t7-,11?/m1/s1
InChIKeyQPCBNMDJHPGONJ-DKSCNQEISA-N
MW338.30 g/mol
LogP4.08
Rot. Bonds1

About (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 174139095) has the molecular formula C15H16F6N2 and a molecular weight of 338.30 g/mol. Its IUPAC name is (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID174139095
Molecular FormulaC15H16F6N2
Molecular Weight338.30 g/mol
Exact Mass338.12
IUPAC Name(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESC[C@@H]1CC(N)=CC(C(F)(F)F)=C1C1=CC=C(N)CC1C(F)(F)F
InChIInChI=1S/C15H16F6N2/c1-7-4-9(23)6-12(15(19,20)21)13(7)10-3-2-8(22)5-11(10)14(16,17)18/h2-3,6-7,11H,4-5,22-23H2,1H3/t7-,11?/m1/s1
InChIKeyQPCBNMDJHPGONJ-DKSCNQEISA-N
XLogP4.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-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 (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 174139095) is (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is C[C@@H]1CC(N)=CC(C(F)(F)F)=C1C1=CC=C(N)CC1C(F)(F)F.
What is the InChIKey of (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is QPCBNMDJHPGONJ-DKSCNQEISA-N. The full InChI is InChI=1S/C15H16F6N2/c1-7-4-9(23)6-12(15(19,20)21)13(7)10-3-2-8(22)5-11(10)14(16,17)18/h2-3,6-7,11H,4-5,22-23H2,1H3/t7-,11?/m1/s1.
What are the key properties of (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
(5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 338.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[4-amino-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 174139095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).