3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine

C11H10F3N — CID 165139770

IUPAC3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine
SMILESC=Cc1ccc(C2CC(F)(F)C2)c(F)n1
InChIInChI=1S/C11H10F3N/c1-2-8-3-4-9(10(12)15-8)7-5-11(13,14)6-7/h2-4,7H,1,5-6H2
InChIKeyCQJDHCKAVRZSKU-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.38
Rot. Bonds2

About 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine

3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine (PubChem CID 165139770) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine
PubChem CID165139770
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine
SMILESC=Cc1ccc(C2CC(F)(F)C2)c(F)n1
InChIInChI=1S/C11H10F3N/c1-2-8-3-4-9(10(12)15-8)7-5-11(13,14)6-7/h2-4,7H,1,5-6H2
InChIKeyCQJDHCKAVRZSKU-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.38
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 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine (CID 165139770) is 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine is C=Cc1ccc(C2CC(F)(F)C2)c(F)n1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine?
The InChIKey is CQJDHCKAVRZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-2-8-3-4-9(10(12)15-8)7-5-11(13,14)6-7/h2-4,7H,1,5-6H2.
What are the key properties of 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine?
3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine has a molecular weight of 213.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-6-ethenyl-2-fluoropyridine is sourced from PubChem (CID 165139770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).