2-(1,1,2,2,2-pentafluoroethyl)pyridine

C7H4F5N — CID 14007752

IUPAC2-(1,1,2,2,2-pentafluoroethyl)pyridine
SMILESFC(F)(F)C(F)(F)c1ccccn1
InChIInChI=1S/C7H4F5N/c8-6(9,7(10,11)12)5-3-1-2-4-13-5/h1-4H
InChIKeyJPNAQSMBKJRSPJ-UHFFFAOYSA-N
MW197.11 g/mol
LogP2.74
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)pyridine

2-(1,1,2,2,2-pentafluoroethyl)pyridine (PubChem CID 14007752) has the molecular formula C7H4F5N and a molecular weight of 197.11 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)pyridine.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)pyridine
PubChem CID14007752
Molecular FormulaC7H4F5N
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)pyridine
SMILESFC(F)(F)C(F)(F)c1ccccn1
InChIInChI=1S/C7H4F5N/c8-6(9,7(10,11)12)5-3-1-2-4-13-5/h1-4H
InChIKeyJPNAQSMBKJRSPJ-UHFFFAOYSA-N
XLogP2.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 1049
CID 1049
CID 1474
CID 1474
CID 135445761
CID 135445761
CID 7975
CID 7975
CID 7521
CID 7521
CID 2366
CID 2366
CID 75919
CID 75919
CID 7728
CID 7728
CID 135398747
CID 135398747
CID 7936
CID 7936
CID 69320
CID 69320
CID 23392
CID 23392

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)pyridine?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)pyridine (CID 14007752) is 2-(1,1,2,2,2-pentafluoroethyl)pyridine.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)pyridine?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)pyridine is FC(F)(F)C(F)(F)c1ccccn1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)pyridine?
The InChIKey is JPNAQSMBKJRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5N/c8-6(9,7(10,11)12)5-3-1-2-4-13-5/h1-4H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)pyridine?
2-(1,1,2,2,2-pentafluoroethyl)pyridine has a molecular weight of 197.11 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)pyridine is sourced from PubChem (CID 14007752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).