2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile

C9H6F4N2O — CID 29004773

IUPAC2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C9H6F4N2O/c10-8(11)9(12,13)5-16-7-3-6(4-14)1-2-15-7/h1-3,8H,5H2
InChIKeyUKHVCULQDLMPIB-UHFFFAOYSA-N
MW234.15 g/mol
LogP2.23
Rot. Bonds4

About 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile

2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile (PubChem CID 29004773) has the molecular formula C9H6F4N2O and a molecular weight of 234.15 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
PubChem CID29004773
Molecular FormulaC9H6F4N2O
Molecular Weight234.15 g/mol
Exact Mass234.04
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C9H6F4N2O/c10-8(11)9(12,13)5-16-7-3-6(4-14)1-2-15-7/h1-3,8H,5H2
InChIKeyUKHVCULQDLMPIB-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 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile (CID 29004773) is 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
The InChIKey is UKHVCULQDLMPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O/c10-8(11)9(12,13)5-16-7-3-6(4-14)1-2-15-7/h1-3,8H,5H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-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 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 29004773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).