1-(Oxiran-2-yl)but-3-enyl hypofluorite

C6H9FO2 — CID 177923649

IUPAC1-(oxiran-2-yl)but-3-enyl hypofluorite
SMILESC=CCC(C1CO1)OF
InChIInChI=1S/C6H9FO2/c1-2-3-5(9-7)6-4-8-6/h2,5-6H,1,3-4H2
InChIKeyFSWXDYLEYVRXTH-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.50
Rot. Bonds3

About 1-(Oxiran-2-yl)but-3-enyl hypofluorite

1-(Oxiran-2-yl)but-3-enyl hypofluorite (PubChem CID 177923649) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 1-(oxiran-2-yl)but-3-enyl hypofluorite.

Molecular Properties

Compound Name1-(Oxiran-2-yl)but-3-enyl hypofluorite
PubChem CID177923649
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name1-(oxiran-2-yl)but-3-enyl hypofluorite
SMILESC=CCC(C1CO1)OF
InChIInChI=1S/C6H9FO2/c1-2-3-5(9-7)6-4-8-6/h2,5-6H,1,3-4H2
InChIKeyFSWXDYLEYVRXTH-UHFFFAOYSA-N
XLogP1.50
TPSA21.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity105

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(Oxiran-2-yl)but-3-en-1-ol
CID 11126217
2-[1-[1-(Oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 11195175
(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 14906715
(1R)-1-[(2S)-oxiran-2-yl]but-3-en-1-ol
CID 11286455
2-(Hex-5-enoxymethyl)oxirane
CID 22934445
2-Prop-2-enyl-3-[(3-prop-2-enyloxiran-2-yl)methoxymethyl]oxirane
CID 56980724
(2S)-2-[1-[1-[(2S)-oxiran-2-yl]but-3-enoxy]but-3-enyl]oxirane
CID 57107091
2-(1-Hydroperoxybut-3-enyl)oxirane
CID 87996701
2-[1-(2-Hydroperoxyethoxy)but-3-enyl]oxirane
CID 88186947
2-[1-(Oxiran-2-yl)but-3-enoxymethyl]oxirane
CID 88363232
(1S)-1-[(2S)-oxiran-2-yl]but-3-en-1-ol
CID 139772266
2-(1-Ethenoxybut-3-enyl)oxirane
CID 140556718

Frequently Asked Questions

What is the IUPAC name of 1-(Oxiran-2-yl)but-3-enyl hypofluorite?
The IUPAC name of 1-(Oxiran-2-yl)but-3-enyl hypofluorite (CID 177923649) is 1-(oxiran-2-yl)but-3-enyl hypofluorite.
What is the SMILES notation for 1-(Oxiran-2-yl)but-3-enyl hypofluorite?
The canonical SMILES for 1-(Oxiran-2-yl)but-3-enyl hypofluorite is C=CCC(C1CO1)OF.
What is the InChIKey of 1-(Oxiran-2-yl)but-3-enyl hypofluorite?
The InChIKey is FSWXDYLEYVRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-2-3-5(9-7)6-4-8-6/h2,5-6H,1,3-4H2.
What are the key properties of 1-(Oxiran-2-yl)but-3-enyl hypofluorite?
1-(Oxiran-2-yl)but-3-enyl hypofluorite has a molecular weight of 132.13 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Oxiran-2-yl)but-3-enyl hypofluorite is sourced from PubChem (CID 177923649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).