2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine

C8F9N — CID 139264129

IUPAC2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine
SMILESF/C(=C(/F)C(F)(F)F)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8F9N/c9-2(5(12)8(15,16)17)1-3(10)6(13)18-7(14)4(1)11/b5-2+
InChIKeyLPFZWPRSBAZKGW-GORDUTHDSA-N
MW281.08 g/mol
LogP3.81
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine

2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine (PubChem CID 139264129) has the molecular formula C8F9N and a molecular weight of 281.08 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine
PubChem CID139264129
Molecular FormulaC8F9N
Molecular Weight281.08 g/mol
Exact Mass280.99
IUPAC Name2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine
SMILESF/C(=C(/F)C(F)(F)F)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8F9N/c9-2(5(12)8(15,16)17)1-3(10)6(13)18-7(14)4(1)11/b5-2+
InChIKeyLPFZWPRSBAZKGW-GORDUTHDSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-4-[(2E,4E)-1,1,1,5,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]pyridine
CID 102119081
1,2,3,4,5-pentafluoro-6-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl)benzene
CID 141281637
2,2,2-trifluoro-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 169302963
2,3,5,6-tetrafluoro-4-(2,2,2-trifluoroethyl)pyridine
CID 15063668
(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one
CID 169008965
2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
CID 14930920
[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566938
[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 12566937
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
(2E)-2-[(2Z)-2-[cyano-[3,5-difluoro-2,6-bis(trifluoromethyl)-4-pyridinyl]methylidene]-3-[cyano-[2,3,5-trifluoro-6-(trifluoromethyl)-4-pyridinyl]methylidene]cyclopropylidene]-2-[3,5-difluoro-2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 168854519
1-nitro-3-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 14067321
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)tellanyl]pyridine
CID 139100618

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine (CID 139264129) is 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine is F/C(=C(/F)C(F)(F)F)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine?
The InChIKey is LPFZWPRSBAZKGW-GORDUTHDSA-N. The full InChI is InChI=1S/C8F9N/c9-2(5(12)8(15,16)17)1-3(10)6(13)18-7(14)4(1)11/b5-2+.
What are the key properties of 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine?
2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine has a molecular weight of 281.08 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyridine is sourced from PubChem (CID 139264129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).