4-butyl-2,3,5,6-tetrafluoropyridine

C9H9F4N — CID 14092720

IUPAC4-butyl-2,3,5,6-tetrafluoropyridine
SMILESCCCCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H9F4N/c1-2-3-4-5-6(10)8(12)14-9(13)7(5)11/h2-4H2,1H3
InChIKeyCKYSJKHHBXNHHX-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.98
Rot. Bonds3

About 4-butyl-2,3,5,6-tetrafluoropyridine

4-butyl-2,3,5,6-tetrafluoropyridine (PubChem CID 14092720) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 4-butyl-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-butyl-2,3,5,6-tetrafluoropyridine
PubChem CID14092720
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name4-butyl-2,3,5,6-tetrafluoropyridine
SMILESCCCCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H9F4N/c1-2-3-4-5-6(10)8(12)14-9(13)7(5)11/h2-4H2,1H3
InChIKeyCKYSJKHHBXNHHX-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-butyl-2,3,5,6-tetrafluoropyridine (CID 14092720) is 4-butyl-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-butyl-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-butyl-2,3,5,6-tetrafluoropyridine is CCCCc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 4-butyl-2,3,5,6-tetrafluoropyridine?
The InChIKey is CKYSJKHHBXNHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-2-3-4-5-6(10)8(12)14-9(13)7(5)11/h2-4H2,1H3.
What are the key properties of 4-butyl-2,3,5,6-tetrafluoropyridine?
4-butyl-2,3,5,6-tetrafluoropyridine has a molecular weight of 207.17 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 14092720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).