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

C7H6BrF2N — CID 57493956

IUPAC4-bromo-2,6-difluoro-3-methylaniline
SMILESCc1c(Br)cc(F)c(N)c1F
InChIInChI=1S/C7H6BrF2N/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3
InChIKeyRGQOGSLVDYZFKR-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.62
Rot. Bonds

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

4-bromo-2,6-difluoro-3-methylaniline (PubChem CID 57493956) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-3-methylaniline
PubChem CID57493956
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name4-bromo-2,6-difluoro-3-methylaniline
SMILESCc1c(Br)cc(F)c(N)c1F
InChIInChI=1S/C7H6BrF2N/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3
InChIKeyRGQOGSLVDYZFKR-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-3-methylaniline?
The IUPAC name of 4-bromo-2,6-difluoro-3-methylaniline (CID 57493956) is 4-bromo-2,6-difluoro-3-methylaniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-3-methylaniline?
The canonical SMILES for 4-bromo-2,6-difluoro-3-methylaniline is Cc1c(Br)cc(F)c(N)c1F.
What is the InChIKey of 4-bromo-2,6-difluoro-3-methylaniline?
The InChIKey is RGQOGSLVDYZFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3.
What are the key properties of 4-bromo-2,6-difluoro-3-methylaniline?
4-bromo-2,6-difluoro-3-methylaniline has a molecular weight of 222.03 g/mol, XLogP of 2.62, 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-difluoro-3-methylaniline is sourced from PubChem (CID 57493956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).