3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite

C11H9FN2OS — CID 143815385

IUPAC3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite
SMILESC=C(CSc1nncc2ccccc12)OF
InChIInChI=1S/C11H9FN2OS/c1-8(15-12)7-16-11-10-5-3-2-4-9(10)6-13-14-11/h2-6H,1,7H2
InChIKeyMSWXJOWXTZFIMF-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.14
Rot. Bonds4

About 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite

3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite (PubChem CID 143815385) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite.

Molecular Properties

Compound Name3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite
PubChem CID143815385
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite
SMILESC=C(CSc1nncc2ccccc12)OF
InChIInChI=1S/C11H9FN2OS/c1-8(15-12)7-16-11-10-5-3-2-4-9(10)6-13-14-11/h2-6H,1,7H2
InChIKeyMSWXJOWXTZFIMF-UHFFFAOYSA-N
XLogP3.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite?
The IUPAC name of 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite (CID 143815385) is 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite.
What is the SMILES notation for 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite?
The canonical SMILES for 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite is C=C(CSc1nncc2ccccc12)OF.
What is the InChIKey of 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite?
The InChIKey is MSWXJOWXTZFIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-8(15-12)7-16-11-10-5-3-2-4-9(10)6-13-14-11/h2-6H,1,7H2.
What are the key properties of 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite?
3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite has a molecular weight of 236.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phthalazin-1-ylsulfanylprop-1-en-2-yl hypofluorite is sourced from PubChem (CID 143815385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).