3-ethyl-2-(trifluoromethoxy)pyridine

C8H8F3NO — CID 166104126

IUPAC3-ethyl-2-(trifluoromethoxy)pyridine
SMILESCCc1cccnc1OC(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-2-6-4-3-5-12-7(6)13-8(9,10)11/h3-5H,2H2,1H3
InChIKeyFSJGKHCTWYKJER-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.54
Rot. Bonds2

About 3-ethyl-2-(trifluoromethoxy)pyridine

3-ethyl-2-(trifluoromethoxy)pyridine (PubChem CID 166104126) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethoxy)pyridine
PubChem CID166104126
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-ethyl-2-(trifluoromethoxy)pyridine
SMILESCCc1cccnc1OC(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-2-6-4-3-5-12-7(6)13-8(9,10)11/h3-5H,2H2,1H3
InChIKeyFSJGKHCTWYKJER-UHFFFAOYSA-N
XLogP2.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-ethyl-2-(trifluoromethoxy)pyridine (CID 166104126) is 3-ethyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-ethyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-ethyl-2-(trifluoromethoxy)pyridine is CCc1cccnc1OC(F)(F)F.
What is the InChIKey of 3-ethyl-2-(trifluoromethoxy)pyridine?
The InChIKey is FSJGKHCTWYKJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-2-6-4-3-5-12-7(6)13-8(9,10)11/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-2-(trifluoromethoxy)pyridine?
3-ethyl-2-(trifluoromethoxy)pyridine has a molecular weight of 191.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 166104126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).