2-bromo-3,5-difluorobenzaldehyde

C7H3BrF2O — CID 58572675

IUPAC2-bromo-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1Br
InChIInChI=1S/C7H3BrF2O/c8-7-4(3-11)1-5(9)2-6(7)10/h1-3H
InChIKeyBXSMAMKROIRRQQ-UHFFFAOYSA-N
MW221.00 g/mol
LogP2.54
Rot. Bonds1

About 2-bromo-3,5-difluorobenzaldehyde

2-bromo-3,5-difluorobenzaldehyde (PubChem CID 58572675) has the molecular formula C7H3BrF2O and a molecular weight of 221.00 g/mol. Its IUPAC name is 2-bromo-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-bromo-3,5-difluorobenzaldehyde
PubChem CID58572675
Molecular FormulaC7H3BrF2O
Molecular Weight221.00 g/mol
Exact Mass219.93
IUPAC Name2-bromo-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1Br
InChIInChI=1S/C7H3BrF2O/c8-7-4(3-11)1-5(9)2-6(7)10/h1-3H
InChIKeyBXSMAMKROIRRQQ-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-2-iodobenzaldehyde
CID 130769283
3-bromo-2-chloro-5-fluorobenzaldehyde
CID 118797003
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
2-bromo-6,8-difluoronaphthalene-1-carbaldehyde
CID 86627318
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
2,3-dibromo-4,5-dihydroxybenzaldehyde
CID 11346984
2,5-difluoro-3-iodobenzaldehyde
CID 119015446
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
CID 159523746
2-bromo-1-(2-bromo-3,5-difluorophenyl)ethanone
CID 122237338
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde
CID 172909483

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-difluorobenzaldehyde?
The IUPAC name of 2-bromo-3,5-difluorobenzaldehyde (CID 58572675) is 2-bromo-3,5-difluorobenzaldehyde.
What is the SMILES notation for 2-bromo-3,5-difluorobenzaldehyde?
The canonical SMILES for 2-bromo-3,5-difluorobenzaldehyde is O=Cc1cc(F)cc(F)c1Br.
What is the InChIKey of 2-bromo-3,5-difluorobenzaldehyde?
The InChIKey is BXSMAMKROIRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2O/c8-7-4(3-11)1-5(9)2-6(7)10/h1-3H.
What are the key properties of 2-bromo-3,5-difluorobenzaldehyde?
2-bromo-3,5-difluorobenzaldehyde has a molecular weight of 221.00 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-difluorobenzaldehyde is sourced from PubChem (CID 58572675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).