6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde

C9H8BrF2NO — CID 171084229

IUPAC6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde
SMILESCN(C)c1cc(Br)c(C=O)c(F)c1F
InChIInChI=1S/C9H8BrF2NO/c1-13(2)7-3-6(10)5(4-14)8(11)9(7)12/h3-4H,1-2H3
InChIKeyFWFINBXHUFXULB-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.61
Rot. Bonds2

About 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde

6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde (PubChem CID 171084229) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde.

Molecular Properties

Compound Name6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde
PubChem CID171084229
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde
SMILESCN(C)c1cc(Br)c(C=O)c(F)c1F
InChIInChI=1S/C9H8BrF2NO/c1-13(2)7-3-6(10)5(4-14)8(11)9(7)12/h3-4H,1-2H3
InChIKeyFWFINBXHUFXULB-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde?
The IUPAC name of 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde (CID 171084229) is 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde.
What is the SMILES notation for 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde?
The canonical SMILES for 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde is CN(C)c1cc(Br)c(C=O)c(F)c1F.
What is the InChIKey of 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde?
The InChIKey is FWFINBXHUFXULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c1-13(2)7-3-6(10)5(4-14)8(11)9(7)12/h3-4H,1-2H3.
What are the key properties of 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde?
6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde has a molecular weight of 264.07 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(dimethylamino)-2,3-difluorobenzaldehyde is sourced from PubChem (CID 171084229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).