5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine

C8H7F4NO — CID 54300208

IUPAC5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine
SMILESCc1ccc(OC(F)(F)C(F)F)nc1
InChIInChI=1S/C8H7F4NO/c1-5-2-3-6(13-4-5)14-8(11,12)7(9)10/h2-4,7H,1H3
InChIKeyGQTQUEGSJZMHPT-UHFFFAOYSA-N
MW209.14 g/mol
LogP2.63
Rot. Bonds3

About 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine

5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine (PubChem CID 54300208) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine.

Molecular Properties

Compound Name5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine
PubChem CID54300208
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine
SMILESCc1ccc(OC(F)(F)C(F)F)nc1
InChIInChI=1S/C8H7F4NO/c1-5-2-3-6(13-4-5)14-8(11,12)7(9)10/h2-4,7H,1H3
InChIKeyGQTQUEGSJZMHPT-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine?
The IUPAC name of 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine (CID 54300208) is 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine.
What is the SMILES notation for 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine?
The canonical SMILES for 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine is Cc1ccc(OC(F)(F)C(F)F)nc1.
What is the InChIKey of 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine?
The InChIKey is GQTQUEGSJZMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c1-5-2-3-6(13-4-5)14-8(11,12)7(9)10/h2-4,7H,1H3.
What are the key properties of 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine?
5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine has a molecular weight of 209.14 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine is sourced from PubChem (CID 54300208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).