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

C9H12F3NO — CID 169163178

IUPAC2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
SMILESCC(C)C1C=CC(OC(F)(F)F)=CN1
InChIInChI=1S/C9H12F3NO/c1-6(2)8-4-3-7(5-13-8)14-9(10,11)12/h3-6,8,13H,1-2H3
InChIKeyDLCSVXZEJCNQNZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.55
Rot. Bonds2

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

2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine (PubChem CID 169163178) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
PubChem CID169163178
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
SMILESCC(C)C1C=CC(OC(F)(F)F)=CN1
InChIInChI=1S/C9H12F3NO/c1-6(2)8-4-3-7(5-13-8)14-9(10,11)12/h3-6,8,13H,1-2H3
InChIKeyDLCSVXZEJCNQNZ-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine (CID 169163178) is 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine is CC(C)C1C=CC(OC(F)(F)F)=CN1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine?
The InChIKey is DLCSVXZEJCNQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6(2)8-4-3-7(5-13-8)14-9(10,11)12/h3-6,8,13H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine?
2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine has a molecular weight of 207.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine is sourced from PubChem (CID 169163178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).