4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine

C11H12ClF4N — CID 132510764

IUPAC4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(CCCCCCCl)c1F
InChIInChI=1S/C11H12ClF4N/c12-6-4-2-1-3-5-7-8(13)10(15)17-11(16)9(7)14/h1-6H2
InChIKeyIMKBKKBPJCQHCI-UHFFFAOYSA-N
MW269.67 g/mol
LogP3.98
Rot. Bonds6

About 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine

4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine (PubChem CID 132510764) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine
PubChem CID132510764
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Name4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(CCCCCCCl)c1F
InChIInChI=1S/C11H12ClF4N/c12-6-4-2-1-3-5-7-8(13)10(15)17-11(16)9(7)14/h1-6H2
InChIKeyIMKBKKBPJCQHCI-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine (CID 132510764) is 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine is Fc1nc(F)c(F)c(CCCCCCCl)c1F.
What is the InChIKey of 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine?
The InChIKey is IMKBKKBPJCQHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF4N/c12-6-4-2-1-3-5-7-8(13)10(15)17-11(16)9(7)14/h1-6H2.
What are the key properties of 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine?
4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine has a molecular weight of 269.67 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexyl)-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 132510764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).