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

C9H12F3N — CID 90841668

IUPAC5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESCC(C)C1C=CC(C(F)(F)F)N=C1
InChIInChI=1S/C9H12F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3-8H,1-2H3
InChIKeyPSKDSABTOOQWGW-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.83
Rot. Bonds1

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

5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 90841668) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID90841668
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESCC(C)C1C=CC(C(F)(F)F)N=C1
InChIInChI=1S/C9H12F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3-8H,1-2H3
InChIKeyPSKDSABTOOQWGW-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

3,4-Dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 70320305
1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 71070191
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
4,5-Dimethyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123682826
4,6-Dimethyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 141794085
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
(2R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 166894121
2,3-Dimethyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 166924929
N-[(Z)-2,2-difluorohex-4-en-3-yl]ethanimine
CID 173908945
2,3-Dimethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 137314924
2-Methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 154555451

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine (CID 90841668) is 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine is CC(C)C1C=CC(C(F)(F)F)N=C1.
What is the InChIKey of 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is PSKDSABTOOQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)7-3-4-8(13-5-7)9(10,11)12/h3-8H,1-2H3.
What are the key properties of 5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine?
5-propan-2-yl-2-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 191.20 g/mol, XLogP of 2.83, 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)-2,5-dihydropyridine is sourced from PubChem (CID 90841668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).