2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde

C8H4BrF3O — CID 131344298

IUPAC2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(C(F)F)c1Br
InChIInChI=1S/C8H4BrF3O/c9-7-4(3-13)1-2-5(10)6(7)8(11)12/h1-3,8H
InChIKeyDZOSIGPBICKCFL-UHFFFAOYSA-N
MW253.02 g/mol
LogP3.34
Rot. Bonds2

About 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde

2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde (PubChem CID 131344298) has the molecular formula C8H4BrF3O and a molecular weight of 253.02 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
PubChem CID131344298
Molecular FormulaC8H4BrF3O
Molecular Weight253.02 g/mol
Exact Mass251.94
IUPAC Name2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(C(F)F)c1Br
InChIInChI=1S/C8H4BrF3O/c9-7-4(3-13)1-2-5(10)6(7)8(11)12/h1-3,8H
InChIKeyDZOSIGPBICKCFL-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.02
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde?
The IUPAC name of 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde (CID 131344298) is 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde is O=Cc1ccc(F)c(C(F)F)c1Br.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde?
The InChIKey is DZOSIGPBICKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3O/c9-7-4(3-13)1-2-5(10)6(7)8(11)12/h1-3,8H.
What are the key properties of 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde?
2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde has a molecular weight of 253.02 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-4-fluorobenzaldehyde is sourced from PubChem (CID 131344298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).