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

C9H12F3N — CID 162556316

IUPAC2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)C1CC=C(C(F)(F)F)C=N1
InChIInChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h3,5-6,8H,4H2,1-2H3
InChIKeyLIIIFZJWGHCNLZ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.97
Rot. Bonds1

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

2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 162556316) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID162556316
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)C1CC=C(C(F)(F)F)C=N1
InChIInChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h3,5-6,8H,4H2,1-2H3
InChIKeyLIIIFZJWGHCNLZ-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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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine (CID 162556316) is 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine is CC(C)C1CC=C(C(F)(F)F)C=N1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is LIIIFZJWGHCNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12/h3,5-6,8H,4H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine?
2-propan-2-yl-5-(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 2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 162556316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).