2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine

C9H12F3N — CID 149231371

IUPAC2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC(C)C1C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h3-6,8,13H,1-2H3
InChIKeyXKJBANUGCOHIFM-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.62
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine

2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 149231371) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID149231371
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC(C)C1C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h3-6,8,13H,1-2H3
InChIKeyXKJBANUGCOHIFM-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine (CID 149231371) is 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine is CC(C)C1C=CC(C(F)(F)F)=CN1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is XKJBANUGCOHIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h3-6,8,13H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 191.20 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 149231371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).