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

C8H10F3N — CID 163728110

IUPAC(4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C[C@@H](C)CC(C(F)(F)F)=N1
InChIInChI=1S/C8H10F3N/c1-5-3-6(2)12-7(4-5)8(9,10)11/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyKXIQSMDLGJMDSL-RXMQYKEDSA-N
MW177.17 g/mol
LogP2.93
Rot. Bonds

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

(4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 163728110) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID163728110
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine
SMILESCC1=C[C@@H](C)CC(C(F)(F)F)=N1
InChIInChI=1S/C8H10F3N/c1-5-3-6(2)12-7(4-5)8(9,10)11/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyKXIQSMDLGJMDSL-RXMQYKEDSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine (CID 163728110) is (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine is CC1=C[C@@H](C)CC(C(F)(F)F)=N1.
What is the InChIKey of (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is KXIQSMDLGJMDSL-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F3N/c1-5-3-6(2)12-7(4-5)8(9,10)11/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine?
(4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-2-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 163728110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).