(2S)-2-(trifluoromethyl)-2,5-dihydropyridine

C6H6F3N — CID 91580648

IUPAC(2S)-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC(F)(F)[C@@H]1C=CCC=N1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h1,3-5H,2H2/t5-/m0/s1
InChIKeyUUPDKUYIKDYGKK-YFKPBYRVSA-N
MW149.12 g/mol
LogP1.95
Rot. Bonds

About (2S)-2-(trifluoromethyl)-2,5-dihydropyridine

(2S)-2-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 91580648) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID91580648
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name(2S)-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC(F)(F)[C@@H]1C=CCC=N1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h1,3-5H,2H2/t5-/m0/s1
InChIKeyUUPDKUYIKDYGKK-YFKPBYRVSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)-2H-pyrrole
CID 67621404
3,3-Difluoropyridine hydrochloride
CID 90015073
3,3-difluoro-2H-pyridine
CID 90015074
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
(2S)-2-fluoro-2,5-dihydropyridine
CID 91143792
(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91526473
2-(trifluoromethyl)-2H-azepine
CID 123630124
6-Bromo-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123694393
2-(Trifluoromethyl)-2,5-dihydropyridine-5-thiol
CID 166834585
5-Fluoro-2,5-dihydropyridine
CID 173305258
N-[(Z)-2,2-difluorohex-4-en-3-yl]ethanimine
CID 173908945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of (2S)-2-(trifluoromethyl)-2,5-dihydropyridine (CID 91580648) is (2S)-2-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for (2S)-2-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for (2S)-2-(trifluoromethyl)-2,5-dihydropyridine is FC(F)(F)[C@@H]1C=CCC=N1.
What is the InChIKey of (2S)-2-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is UUPDKUYIKDYGKK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-3-1-2-4-10-5/h1,3-5H,2H2/t5-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)-2,5-dihydropyridine?
(2S)-2-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 149.12 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethyl)-2,5-dihydropyridine is sourced from PubChem (CID 91580648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).