3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde

C11H12BrFO — CID 123976230

IUPAC3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
SMILESCC(C)Cc1c(Br)ccc(F)c1C=O
InChIInChI=1S/C11H12BrFO/c1-7(2)5-8-9(6-14)11(13)4-3-10(8)12/h3-4,6-7H,5H2,1-2H3
InChIKeyKARNBLFSHXZXNG-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.60
Rot. Bonds3

About 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde

3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde (PubChem CID 123976230) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
PubChem CID123976230
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
SMILESCC(C)Cc1c(Br)ccc(F)c1C=O
InChIInChI=1S/C11H12BrFO/c1-7(2)5-8-9(6-14)11(13)4-3-10(8)12/h3-4,6-7H,5H2,1-2H3
InChIKeyKARNBLFSHXZXNG-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[7-bromo-4-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377542
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde
CID 149275675
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[[7-bromo-4-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114377531
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
3-bromo-2-(2-methylpropyl)-6-phosphanylphenol
CID 143486560
2,3-dibromo-1,5-difluoro-4-(2-methylpropyl)benzene
CID 134387814
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
3-acetyl-2-bromo-6-fluorobenzaldehyde
CID 171001660
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
(3,6-difluoro-2-formylphenyl)methyl carbamate
CID 175233070

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde?
The IUPAC name of 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde (CID 123976230) is 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde.
What is the SMILES notation for 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde?
The canonical SMILES for 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde is CC(C)Cc1c(Br)ccc(F)c1C=O.
What is the InChIKey of 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde?
The InChIKey is KARNBLFSHXZXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-7(2)5-8-9(6-14)11(13)4-3-10(8)12/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde?
3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde has a molecular weight of 259.12 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde is sourced from PubChem (CID 123976230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).