2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine

C10H5F7N4 — CID 91215779

IUPAC2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)n1cc(-c2ccccn2)nn1
InChIInChI=1S/C10H5F7N4/c11-8(12,9(13,14)15)10(16,17)21-5-7(19-20-21)6-3-1-2-4-18-6/h1-5H
InChIKeyDCRCXZXMISFGTE-UHFFFAOYSA-N
MW314.16 g/mol
LogP3.09
Rot. Bonds3

About 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine

2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine (PubChem CID 91215779) has the molecular formula C10H5F7N4 and a molecular weight of 314.16 g/mol. Its IUPAC name is 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine
PubChem CID91215779
Molecular FormulaC10H5F7N4
Molecular Weight314.16 g/mol
Exact Mass314.04
IUPAC Name2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)n1cc(-c2ccccn2)nn1
InChIInChI=1S/C10H5F7N4/c11-8(12,9(13,14)15)10(16,17)21-5-7(19-20-21)6-3-1-2-4-18-6/h1-5H
InChIKeyDCRCXZXMISFGTE-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine?
The IUPAC name of 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine (CID 91215779) is 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine is FC(F)(F)C(F)(F)C(F)(F)n1cc(-c2ccccn2)nn1.
What is the InChIKey of 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine?
The InChIKey is DCRCXZXMISFGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7N4/c11-8(12,9(13,14)15)10(16,17)21-5-7(19-20-21)6-3-1-2-4-18-6/h1-5H.
What are the key properties of 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine?
2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine has a molecular weight of 314.16 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,1,2,2,3,3,3-heptafluoropropyl)triazol-4-yl]pyridine is sourced from PubChem (CID 91215779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).