4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile

C9H9F3N2 — CID 162608278

IUPAC4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
SMILESCC1CC(N)=CC(C(F)(F)F)=C1C#N
InChIInChI=1S/C9H9F3N2/c1-5-2-6(14)3-8(7(5)4-13)9(10,11)12/h3,5H,2,14H2,1H3
InChIKeyRKDMRBZJDRYBHK-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.25
Rot. Bonds

About 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile

4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 162608278) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
PubChem CID162608278
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
SMILESCC1CC(N)=CC(C(F)(F)F)=C1C#N
InChIInChI=1S/C9H9F3N2/c1-5-2-6(14)3-8(7(5)4-13)9(10,11)12/h3,5H,2,14H2,1H3
InChIKeyRKDMRBZJDRYBHK-UHFFFAOYSA-N
XLogP2.25
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile 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-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile (CID 162608278) is 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile is CC1CC(N)=CC(C(F)(F)F)=C1C#N.
What is the InChIKey of 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is RKDMRBZJDRYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-5-2-6(14)3-8(7(5)4-13)9(10,11)12/h3,5H,2,14H2,1H3.
What are the key properties of 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile?
4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 202.18 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 162608278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).