3-fluorobenzoyl bromide

C7H4BrFO — CID 20822510

IUPAC3-fluorobenzoyl bromide
SMILESO=C(Br)c1cccc(F)c1
InChIInChI=1S/C7H4BrFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKeyOEKJNWICKQULIB-UHFFFAOYSA-N
MW203.01 g/mol
LogP2.36
Rot. Bonds1

About 3-fluorobenzoyl bromide

3-fluorobenzoyl bromide (PubChem CID 20822510) has the molecular formula C7H4BrFO and a molecular weight of 203.01 g/mol. Its IUPAC name is 3-fluorobenzoyl bromide.

Molecular Properties

Compound Name3-fluorobenzoyl bromide
PubChem CID20822510
Molecular FormulaC7H4BrFO
Molecular Weight203.01 g/mol
Exact Mass201.94
IUPAC Name3-fluorobenzoyl bromide
SMILESO=C(Br)c1cccc(F)c1
InChIInChI=1S/C7H4BrFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKeyOEKJNWICKQULIB-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bismuth tris(3-fluorobenzoate)
CID 132504465
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
3-fluoro-N-hydroxybenzamide
CID 5082377
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
methyl 3-fluorobenzoate
CID 521184
2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-fluorophenyl)-2-methylprop-2-en-1-one
CID 11159505
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843

Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzoyl bromide?
The IUPAC name of 3-fluorobenzoyl bromide (CID 20822510) is 3-fluorobenzoyl bromide.
What is the SMILES notation for 3-fluorobenzoyl bromide?
The canonical SMILES for 3-fluorobenzoyl bromide is O=C(Br)c1cccc(F)c1.
What is the InChIKey of 3-fluorobenzoyl bromide?
The InChIKey is OEKJNWICKQULIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H.
What are the key properties of 3-fluorobenzoyl bromide?
3-fluorobenzoyl bromide has a molecular weight of 203.01 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzoyl bromide is sourced from PubChem (CID 20822510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).