6-bromo-2,4-difluoro-3-methoxybenzaldehyde

C8H5BrF2O2 — CID 86613168

IUPAC6-bromo-2,4-difluoro-3-methoxybenzaldehyde
SMILESCOc1c(F)cc(Br)c(C=O)c1F
InChIInChI=1S/C8H5BrF2O2/c1-13-8-6(10)2-5(9)4(3-12)7(8)11/h2-3H,1H3
InChIKeyAQVSGQVOLJDRTE-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.55
Rot. Bonds2

About 6-bromo-2,4-difluoro-3-methoxybenzaldehyde

6-bromo-2,4-difluoro-3-methoxybenzaldehyde (PubChem CID 86613168) has the molecular formula C8H5BrF2O2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 6-bromo-2,4-difluoro-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2,4-difluoro-3-methoxybenzaldehyde
PubChem CID86613168
Molecular FormulaC8H5BrF2O2
Molecular Weight251.03 g/mol
Exact Mass249.94
IUPAC Name6-bromo-2,4-difluoro-3-methoxybenzaldehyde
SMILESCOc1c(F)cc(Br)c(C=O)c1F
InChIInChI=1S/C8H5BrF2O2/c1-13-8-6(10)2-5(9)4(3-12)7(8)11/h2-3H,1H3
InChIKeyAQVSGQVOLJDRTE-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.55
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

CID 344480
CID 344480
CID 2776849
CID 2776849
CID 11460592
CID 11460592
CID 11810263
CID 11810263
CID 12187207
CID 12187207
CID 10870024
CID 10870024
CID 86058305
CID 86058305
CID 2781656
CID 2781656
CID 2783309
CID 2783309
CID 5006711
CID 5006711
CID 11463151
CID 11463151
CID 12243690
CID 12243690

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-difluoro-3-methoxybenzaldehyde?
The IUPAC name of 6-bromo-2,4-difluoro-3-methoxybenzaldehyde (CID 86613168) is 6-bromo-2,4-difluoro-3-methoxybenzaldehyde.
What is the SMILES notation for 6-bromo-2,4-difluoro-3-methoxybenzaldehyde?
The canonical SMILES for 6-bromo-2,4-difluoro-3-methoxybenzaldehyde is COc1c(F)cc(Br)c(C=O)c1F.
What is the InChIKey of 6-bromo-2,4-difluoro-3-methoxybenzaldehyde?
The InChIKey is AQVSGQVOLJDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2/c1-13-8-6(10)2-5(9)4(3-12)7(8)11/h2-3H,1H3.
What are the key properties of 6-bromo-2,4-difluoro-3-methoxybenzaldehyde?
6-bromo-2,4-difluoro-3-methoxybenzaldehyde has a molecular weight of 251.03 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-difluoro-3-methoxybenzaldehyde is sourced from PubChem (CID 86613168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).