4-bromobut-1-enyl hypofluorite

C4H6BrFO — CID 173399469

IUPAC4-bromobut-1-enyl hypofluorite
SMILESFOC=CCCBr
InChIInChI=1S/C4H6BrFO/c5-3-1-2-4-7-6/h2,4H,1,3H2
InChIKeyQIHSYUHSKYWNGA-UHFFFAOYSA-N
MW168.99 g/mol
LogP2.19
Rot. Bonds3

About 4-bromobut-1-enyl hypofluorite

4-bromobut-1-enyl hypofluorite (PubChem CID 173399469) has the molecular formula C4H6BrFO and a molecular weight of 168.99 g/mol. Its IUPAC name is 4-bromobut-1-enyl hypofluorite.

Molecular Properties

Compound Name4-bromobut-1-enyl hypofluorite
PubChem CID173399469
Molecular FormulaC4H6BrFO
Molecular Weight168.99 g/mol
Exact Mass167.96
IUPAC Name4-bromobut-1-enyl hypofluorite
SMILESFOC=CCCBr
InChIInChI=1S/C4H6BrFO/c5-3-1-2-4-7-6/h2,4H,1,3H2
InChIKeyQIHSYUHSKYWNGA-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-bromo-6-[[(Z)-6-bromohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229356
(E)-1,4-dibromobut-1-ene
CID 14316427
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
CID 157260867
CID 157260867
(2E,4E)-7-bromohepta-2,4-diene
CID 12853153
(E)-6-bromohex-3-enal
CID 131237482
4-(4-bromobut-1-enyl)-2,6-difluorophenol
CID 170497385
1-bromo-6-methylhept-3-ene
CID 79006953
5-bromopent-2-enoic acid
CID 54205255
(E)-5-bromopent-2-enoic acid
CID 19912723

Frequently Asked Questions

What is the IUPAC name of 4-bromobut-1-enyl hypofluorite?
The IUPAC name of 4-bromobut-1-enyl hypofluorite (CID 173399469) is 4-bromobut-1-enyl hypofluorite.
What is the SMILES notation for 4-bromobut-1-enyl hypofluorite?
The canonical SMILES for 4-bromobut-1-enyl hypofluorite is FOC=CCCBr.
What is the InChIKey of 4-bromobut-1-enyl hypofluorite?
The InChIKey is QIHSYUHSKYWNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrFO/c5-3-1-2-4-7-6/h2,4H,1,3H2.
What are the key properties of 4-bromobut-1-enyl hypofluorite?
4-bromobut-1-enyl hypofluorite has a molecular weight of 168.99 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobut-1-enyl hypofluorite is sourced from PubChem (CID 173399469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).