2-(3-bromo-2,6-difluorophenyl)benzaldehyde

C13H7BrF2O — CID 106943268

IUPAC2-(3-bromo-2,6-difluorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H7BrF2O/c14-10-5-6-11(15)12(13(10)16)9-4-2-1-3-8(9)7-17/h1-7H
InChIKeyYVVOASQCKBMPJT-UHFFFAOYSA-N
MW297.10 g/mol
LogP4.21
Rot. Bonds2

About 2-(3-bromo-2,6-difluorophenyl)benzaldehyde

2-(3-bromo-2,6-difluorophenyl)benzaldehyde (PubChem CID 106943268) has the molecular formula C13H7BrF2O and a molecular weight of 297.10 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)benzaldehyde
PubChem CID106943268
Molecular FormulaC13H7BrF2O
Molecular Weight297.10 g/mol
Exact Mass295.96
IUPAC Name2-(3-bromo-2,6-difluorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H7BrF2O/c14-10-5-6-11(15)12(13(10)16)9-4-2-1-3-8(9)7-17/h1-7H
InChIKeyYVVOASQCKBMPJT-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 54.21
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

ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
CID 143224039
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240259
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
CID 132539599
3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde
CID 165487809
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
2-[2,3,4-tris(2-formylphenyl)-6-methyl-5-(2,3,4,5,6-pentamethylphenyl)phenyl]benzaldehyde
CID 163215546
4-fluoro-3-(2-formylphenyl)benzoic acid
CID 53225111
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-(2-bromophenyl)-5-fluorobenzaldehyde
CID 71600185

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)benzaldehyde?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)benzaldehyde (CID 106943268) is 2-(3-bromo-2,6-difluorophenyl)benzaldehyde.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)benzaldehyde?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)benzaldehyde is O=Cc1ccccc1-c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)benzaldehyde?
The InChIKey is YVVOASQCKBMPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O/c14-10-5-6-11(15)12(13(10)16)9-4-2-1-3-8(9)7-17/h1-7H.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)benzaldehyde?
2-(3-bromo-2,6-difluorophenyl)benzaldehyde has a molecular weight of 297.10 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)benzaldehyde is sourced from PubChem (CID 106943268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).