butyl hypofluorite

C4H9FO — CID 18429097

IUPACbutyl hypofluorite
SMILESCCCCOF
InChIInChI=1S/C4H9FO/c1-2-3-4-6-5/h2-4H2,1H3
InChIKeyPBLYVZBCFDFCTO-UHFFFAOYSA-N
MW92.11 g/mol
LogP1.69
Rot. Bonds3

About butyl hypofluorite

butyl hypofluorite (PubChem CID 18429097) has the molecular formula C4H9FO and a molecular weight of 92.11 g/mol. Its IUPAC name is butyl hypofluorite.

Molecular Properties

Compound Namebutyl hypofluorite
PubChem CID18429097
Molecular FormulaC4H9FO
Molecular Weight92.11 g/mol
Exact Mass92.06
IUPAC Namebutyl hypofluorite
SMILESCCCCOF
InChIInChI=1S/C4H9FO/c1-2-3-4-6-5/h2-4H2,1H3
InChIKeyPBLYVZBCFDFCTO-UHFFFAOYSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl hypofluorite?
The IUPAC name of butyl hypofluorite (CID 18429097) is butyl hypofluorite.
What is the SMILES notation for butyl hypofluorite?
The canonical SMILES for butyl hypofluorite is CCCCOF.
What is the InChIKey of butyl hypofluorite?
The InChIKey is PBLYVZBCFDFCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO/c1-2-3-4-6-5/h2-4H2,1H3.
What are the key properties of butyl hypofluorite?
butyl hypofluorite has a molecular weight of 92.11 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl hypofluorite is sourced from PubChem (CID 18429097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).