6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile

C9H6F4N2O — CID 64594578

IUPAC6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H6F4N2O/c10-8(11)9(12,13)5-16-7-3-1-2-6(4-14)15-7/h1-3,8H,5H2
InChIKeyFOJOGUWPWXMSKG-UHFFFAOYSA-N
MW234.15 g/mol
LogP2.23
Rot. Bonds4

About 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile

6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile (PubChem CID 64594578) has the molecular formula C9H6F4N2O and a molecular weight of 234.15 g/mol. Its IUPAC name is 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile
PubChem CID64594578
Molecular FormulaC9H6F4N2O
Molecular Weight234.15 g/mol
Exact Mass234.04
IUPAC Name6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile
SMILESN#Cc1cccc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H6F4N2O/c10-8(11)9(12,13)5-16-7-3-1-2-6(4-14)15-7/h1-3,8H,5H2
InChIKeyFOJOGUWPWXMSKG-UHFFFAOYSA-N
XLogP2.23
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile (CID 64594578) is 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile is N#Cc1cccc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile?
The InChIKey is FOJOGUWPWXMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O/c10-8(11)9(12,13)5-16-7-3-1-2-6(4-14)15-7/h1-3,8H,5H2.
What are the key properties of 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile?
6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile has a molecular weight of 234.15 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 64594578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).