4-bromo-2-fluoro-N-methylaniline

C7H7BrFN — CID 21161229

IUPAC4-bromo-2-fluoro-N-methylaniline
SMILESCNc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyHGNONAHZRMPHON-UHFFFAOYSA-N
MW204.04 g/mol
LogP2.63
Rot. Bonds1

About 4-bromo-2-fluoro-N-methylaniline

4-bromo-2-fluoro-N-methylaniline (PubChem CID 21161229) has the molecular formula C7H7BrFN and a molecular weight of 204.04 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-methylaniline
PubChem CID21161229
Molecular FormulaC7H7BrFN
Molecular Weight204.04 g/mol
Exact Mass202.97
IUPAC Name4-bromo-2-fluoro-N-methylaniline
SMILESCNc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyHGNONAHZRMPHON-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-methylaniline?
The IUPAC name of 4-bromo-2-fluoro-N-methylaniline (CID 21161229) is 4-bromo-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-methylaniline?
The canonical SMILES for 4-bromo-2-fluoro-N-methylaniline is CNc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-methylaniline?
The InChIKey is HGNONAHZRMPHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3.
What are the key properties of 4-bromo-2-fluoro-N-methylaniline?
4-bromo-2-fluoro-N-methylaniline has a molecular weight of 204.04 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-methylaniline is sourced from PubChem (CID 21161229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).