4-bromo-2,6-difluoroaniline

C6H4BrF2N — CID 610191

IUPAC4-bromo-2,6-difluoroaniline
SMILESNc1c(F)cc(Br)cc1F
InChIInChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyBFQSQUAVMNHOEF-UHFFFAOYSA-N
MW208.00 g/mol
LogP2.31
Rot. Bonds

About 4-bromo-2,6-difluoroaniline

4-bromo-2,6-difluoroaniline (PubChem CID 610191) has the molecular formula C6H4BrF2N and a molecular weight of 208.00 g/mol. Its IUPAC name is 4-bromo-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoroaniline
PubChem CID610191
Molecular FormulaC6H4BrF2N
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name4-bromo-2,6-difluoroaniline
SMILESNc1c(F)cc(Br)cc1F
InChIInChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyBFQSQUAVMNHOEF-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromoaniline
CID 7807
3-Bromoaniline
CID 11562
2,4,6-Tribromoaniline
CID 8986
2-Bromoaniline
CID 11992
2,6-Dibromoaniline
CID 69098
4-Bromo-3-fluoroaniline
CID 821848
1-Azido-4-bromobenzene
CID 75005
2-Bromo-4-fluoroaniline
CID 242873
5-Bromo-2-fluoroaniline
CID 2769407
3-Bromo-4-fluoroaniline
CID 2779286
2-Bromo-3,4-difluoroaniline
CID 22731604
4-Bromo-3,5-difluoroaniline
CID 2736260

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoroaniline?
The IUPAC name of 4-bromo-2,6-difluoroaniline (CID 610191) is 4-bromo-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-2,6-difluoroaniline is Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoroaniline?
The InChIKey is BFQSQUAVMNHOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2.
What are the key properties of 4-bromo-2,6-difluoroaniline?
4-bromo-2,6-difluoroaniline has a molecular weight of 208.00 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoroaniline is sourced from PubChem (CID 610191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).