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

C7H6BrF2N — CID 21161558

IUPAC2-bromo-4,6-difluoro-N-methylaniline
SMILESCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C7H6BrF2N/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3,11H,1H3
InChIKeyMEGICNYNMGRCIB-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.77
Rot. Bonds1

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

2-bromo-4,6-difluoro-N-methylaniline (PubChem CID 21161558) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-methylaniline
PubChem CID21161558
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name2-bromo-4,6-difluoro-N-methylaniline
SMILESCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C7H6BrF2N/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3,11H,1H3
InChIKeyMEGICNYNMGRCIB-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-methylaniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-methylaniline (CID 21161558) is 2-bromo-4,6-difluoro-N-methylaniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-methylaniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-methylaniline is CNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-methylaniline?
The InChIKey is MEGICNYNMGRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3,11H,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-methylaniline?
2-bromo-4,6-difluoro-N-methylaniline has a molecular weight of 222.03 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-methylaniline is sourced from PubChem (CID 21161558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).