4-(azetidin-3-yl)but-1-en-2-yl hypofluorite

C7H12FNO — CID 163274683

IUPAC4-(azetidin-3-yl)but-1-en-2-yl hypofluorite
SMILESC=C(CCC1CNC1)OF
InChIInChI=1S/C7H12FNO/c1-6(10-8)2-3-7-4-9-5-7/h7,9H,1-5H2
InChIKeyWWBPYCNJLJIFHP-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.40
Rot. Bonds4

About 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite

4-(azetidin-3-yl)but-1-en-2-yl hypofluorite (PubChem CID 163274683) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite.

Molecular Properties

Compound Name4-(azetidin-3-yl)but-1-en-2-yl hypofluorite
PubChem CID163274683
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name4-(azetidin-3-yl)but-1-en-2-yl hypofluorite
SMILESC=C(CCC1CNC1)OF
InChIInChI=1S/C7H12FNO/c1-6(10-8)2-3-7-4-9-5-7/h7,9H,1-5H2
InChIKeyWWBPYCNJLJIFHP-UHFFFAOYSA-N
XLogP1.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite?
The IUPAC name of 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite (CID 163274683) is 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite.
What is the SMILES notation for 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite?
The canonical SMILES for 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite is C=C(CCC1CNC1)OF.
What is the InChIKey of 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite?
The InChIKey is WWBPYCNJLJIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10-8)2-3-7-4-9-5-7/h7,9H,1-5H2.
What are the key properties of 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite?
4-(azetidin-3-yl)but-1-en-2-yl hypofluorite has a molecular weight of 145.18 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)but-1-en-2-yl hypofluorite is sourced from PubChem (CID 163274683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).