(4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile

C9H9F3N2 — CID 90809383

IUPAC(4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile
SMILESCC1=NC(C(F)(F)F)=C[C@H](C)C1C#N
InChIInChI=1S/C9H9F3N2/c1-5-3-8(9(10,11)12)14-6(2)7(5)4-13/h3,5,7H,1-2H3/t5-,7?/m0/s1
InChIKeyPTTQJHYTJAJLJA-DSEUIKHZSA-N
MW202.18 g/mol
LogP2.68
Rot. Bonds

About (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile

(4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile (PubChem CID 90809383) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile
PubChem CID90809383
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name(4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile
SMILESCC1=NC(C(F)(F)F)=C[C@H](C)C1C#N
InChIInChI=1S/C9H9F3N2/c1-5-3-8(9(10,11)12)14-6(2)7(5)4-13/h3,5,7H,1-2H3/t5-,7?/m0/s1
InChIKeyPTTQJHYTJAJLJA-DSEUIKHZSA-N
XLogP2.68
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-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 (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
The IUPAC name of (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile (CID 90809383) is (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile is CC1=NC(C(F)(F)F)=C[C@H](C)C1C#N.
What is the InChIKey of (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
The InChIKey is PTTQJHYTJAJLJA-DSEUIKHZSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-5-3-8(9(10,11)12)14-6(2)7(5)4-13/h3,5,7H,1-2H3/t5-,7?/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile?
(4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile has a molecular weight of 202.18 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 90809383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).