5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine

C9H12F3N — CID 142093065

IUPAC5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)C1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C9H12F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3,5-6,8H,4H2,1-2H3
InChIKeyPSXYTSINTJAHEU-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.97
Rot. Bonds1

About 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine

5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 142093065) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID142093065
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)C1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C9H12F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3,5-6,8H,4H2,1-2H3
InChIKeyPSXYTSINTJAHEU-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-Methyl-2-(trifluoromethyl)-2,3-dihydropyridin-5-yl]methanamine
CID 68262335
(2S)-3-ethyl-6-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 89091133
3-Ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 90820070
5-Propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90841668
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476292
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
4,5-Dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123682826
3-fluoro-2,2,5-trimethyl-3H-pyridine
CID 123896833
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine (CID 142093065) is 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine is CC(C)C1=CCC(C(F)(F)F)N=C1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is PSXYTSINTJAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3,5-6,8H,4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine?
5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 191.20 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 142093065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).