3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine

C10H12F3NO2 — CID 164741273

IUPAC3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Oc1cccnc1OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-7(2)16-8-4-3-5-14-9(8)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyLVEGOMOTLLJAMR-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.81
Rot. Bonds4

About 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine

3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 164741273) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID164741273
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Oc1cccnc1OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-7(2)16-8-4-3-5-14-9(8)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyLVEGOMOTLLJAMR-UHFFFAOYSA-N
XLogP2.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
CID 113393427
2-tert-butyl-3-(2,2,2-trifluoroethoxy)pyridine
CID 167245617
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
methyl 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzoate
CID 54424942
1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]butan-2-amine;hydrochloride
CID 170889418
3-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 114169605
3-(1-fluoroethoxy)-2-methoxypyridine
CID 131995138
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
3-methyl-2-propan-2-yloxypyridine
CID 21334096

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine (CID 164741273) is 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine is CC(C)Oc1cccnc1OCC(F)(F)F.
What is the InChIKey of 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is LVEGOMOTLLJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-7(2)16-8-4-3-5-14-9(8)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine?
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 235.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 164741273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).