5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine

C9H12F3N — CID 138551284

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC(C)C1=CNCC=C1C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(2)7-5-13-4-3-8(7)9(10,11)12/h3,5-6,13H,4H2,1-2H3
InChIKeyBJBMYGQCOCNGKE-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.62
Rot. Bonds1

About 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine

5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 138551284) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID138551284
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC(C)C1=CNCC=C1C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(2)7-5-13-4-3-8(7)9(10,11)12/h3,5-6,13H,4H2,1-2H3
InChIKeyBJBMYGQCOCNGKE-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 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine (CID 138551284) is 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine is CC(C)C1=CNCC=C1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is BJBMYGQCOCNGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)7-5-13-4-3-8(7)9(10,11)12/h3,5-6,13H,4H2,1-2H3.
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine?
5-propan-2-yl-4-(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 5-propan-2-yl-4-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 138551284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).