2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine

C8H10F3NO — CID 173469546

IUPAC2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine
SMILESCC(OC1C=CC=CN1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(8(9,10)11)13-7-4-2-3-5-12-7/h2-7,12H,1H3
InChIKeyNAJQOBYYIJFEFZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.95
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine

2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine (PubChem CID 173469546) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine
PubChem CID173469546
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine
SMILESCC(OC1C=CC=CN1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(8(9,10)11)13-7-4-2-3-5-12-7/h2-7,12H,1H3
InChIKeyNAJQOBYYIJFEFZ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butoxy-2,3,5-trifluoro-1H-pyridine
CID 67626485
2-chloro-2-(4,4,4-trifluorobutoxy)-1H-pyridine
CID 118212052
2-(difluoromethoxy)-2-fluoro-1H-pyridine
CID 146443817
3-Fluoro-2-methoxy-1,2-dihydropyridine
CID 173058082
2-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
CID 152366964
2-Propan-2-yloxy-1,2-dihydropyridine
CID 142025982
Ethane;2-propan-2-yloxy-1,2-dihydropyridine
CID 142154994
2-Ethoxy-1,2-dihydropyridine
CID 142974340
6-Methyl-2-propan-2-yloxy-1,2-dihydropyridine
CID 156227009
4-Methyl-2-propan-2-yloxy-1,2-dihydropyridine
CID 171496771
2-Cyclobutyloxy-1,2-dihydropyridine
CID 173177352
2-deuterio-2-(1,1-dideuterioethoxy)-1H-pyridine
CID 175939370

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine (CID 173469546) is 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine is CC(OC1C=CC=CN1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine?
The InChIKey is NAJQOBYYIJFEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6(8(9,10)11)13-7-4-2-3-5-12-7/h2-7,12H,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine?
2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine has a molecular weight of 193.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxy)-1,2-dihydropyridine is sourced from PubChem (CID 173469546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).