2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde

C10H10BrFO2 — CID 149275675

IUPAC2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(F)c(Br)c1C=O
InChIInChI=1S/C10H10BrFO2/c1-6(2)14-9-4-3-8(12)10(11)7(9)5-13/h3-6H,1-2H3
InChIKeyXRYHXMKSXXTBMV-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.19
Rot. Bonds3

About 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde

2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde (PubChem CID 149275675) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde
PubChem CID149275675
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(F)c(Br)c1C=O
InChIInChI=1S/C10H10BrFO2/c1-6(2)14-9-4-3-8(12)10(11)7(9)5-13/h3-6H,1-2H3
InChIKeyXRYHXMKSXXTBMV-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090
1-bromo-2,3-difluoro-4-propan-2-yloxybenzene
CID 125116613
4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine
CID 156757492
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
2-propan-2-yloxy-5-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650735
3-acetyl-2-bromo-6-fluorobenzaldehyde
CID 171001660
tert-butyl N-[(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)methyl]-N-ethylcarbamate
CID 175491921
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
CID 142766285

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde?
The IUPAC name of 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde (CID 149275675) is 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde?
The canonical SMILES for 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde is CC(C)Oc1ccc(F)c(Br)c1C=O.
What is the InChIKey of 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde?
The InChIKey is XRYHXMKSXXTBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6(2)14-9-4-3-8(12)10(11)7(9)5-13/h3-6H,1-2H3.
What are the key properties of 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde?
2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde has a molecular weight of 261.09 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 149275675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).