(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide

C7H9F3N2O — CID 25272838

IUPAC(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide
SMILESNC(=O)C1C=NCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h3-5H,1-2H2,(H2,11,13)/t4?,5-/m0/s1
InChIKeyZYLYSNGCPHBNER-AKGZTFGVSA-N
MW194.16 g/mol
LogP0.74
Rot. Bonds1

About (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide

(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide (PubChem CID 25272838) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide
PubChem CID25272838
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide
SMILESNC(=O)C1C=NCC[C@@H]1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h3-5H,1-2H2,(H2,11,13)/t4?,5-/m0/s1
InChIKeyZYLYSNGCPHBNER-AKGZTFGVSA-N
XLogP0.74
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide?
The IUPAC name of (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide (CID 25272838) is (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide is NC(=O)C1C=NCC[C@@H]1C(F)(F)F.
What is the InChIKey of (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide?
The InChIKey is ZYLYSNGCPHBNER-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h3-5H,1-2H2,(H2,11,13)/t4?,5-/m0/s1.
What are the key properties of (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide?
(4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide has a molecular weight of 194.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 25272838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).