3-(3-bromo-6-chloro-2-fluorophenyl)propanal

C9H7BrClFO — CID 117418213

IUPAC3-(3-bromo-6-chloro-2-fluorophenyl)propanal
SMILESO=CCCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H7BrClFO/c10-7-3-4-8(11)6(9(7)12)2-1-5-13/h3-5H,1-2H2
InChIKeyQZNVSKDSLANGJT-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.37
Rot. Bonds3

About 3-(3-bromo-6-chloro-2-fluorophenyl)propanal

3-(3-bromo-6-chloro-2-fluorophenyl)propanal (PubChem CID 117418213) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 3-(3-bromo-6-chloro-2-fluorophenyl)propanal.

Molecular Properties

Compound Name3-(3-bromo-6-chloro-2-fluorophenyl)propanal
PubChem CID117418213
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name3-(3-bromo-6-chloro-2-fluorophenyl)propanal
SMILESO=CCCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C9H7BrClFO/c10-7-3-4-8(11)6(9(7)12)2-1-5-13/h3-5H,1-2H2
InChIKeyQZNVSKDSLANGJT-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.37
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

2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955
3-(3-bromo-6-chloro-2-fluorophenyl)propanoic acid
CID 84812174
3-(3-chloro-2,6-difluorophenyl)propanal
CID 53434308
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
1-bromo-4-chloro-2-fluoro-3-(isocyanatomethyl)benzene
CID 117415975
1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
CID 130140819
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
3-(4-bromo-2,3,5,6-tetrafluorophenyl)propanal
CID 117117807
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propanal
CID 117305933

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-6-chloro-2-fluorophenyl)propanal?
The IUPAC name of 3-(3-bromo-6-chloro-2-fluorophenyl)propanal (CID 117418213) is 3-(3-bromo-6-chloro-2-fluorophenyl)propanal.
What is the SMILES notation for 3-(3-bromo-6-chloro-2-fluorophenyl)propanal?
The canonical SMILES for 3-(3-bromo-6-chloro-2-fluorophenyl)propanal is O=CCCc1c(Cl)ccc(Br)c1F.
What is the InChIKey of 3-(3-bromo-6-chloro-2-fluorophenyl)propanal?
The InChIKey is QZNVSKDSLANGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c10-7-3-4-8(11)6(9(7)12)2-1-5-13/h3-5H,1-2H2.
What are the key properties of 3-(3-bromo-6-chloro-2-fluorophenyl)propanal?
3-(3-bromo-6-chloro-2-fluorophenyl)propanal has a molecular weight of 265.51 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-6-chloro-2-fluorophenyl)propanal is sourced from PubChem (CID 117418213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).