3-(aminomethyl)-6-bromo-2-fluorophenol

C7H7BrFNO — CID 118845822

IUPAC3-(aminomethyl)-6-bromo-2-fluorophenol
SMILESNCc1ccc(Br)c(O)c1F
InChIInChI=1S/C7H7BrFNO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
InChIKeyXDUSUWYLJOWLOX-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.75
Rot. Bonds1

About 3-(aminomethyl)-6-bromo-2-fluorophenol

3-(aminomethyl)-6-bromo-2-fluorophenol (PubChem CID 118845822) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 3-(aminomethyl)-6-bromo-2-fluorophenol.

Molecular Properties

Compound Name3-(aminomethyl)-6-bromo-2-fluorophenol
PubChem CID118845822
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name3-(aminomethyl)-6-bromo-2-fluorophenol
SMILESNCc1ccc(Br)c(O)c1F
InChIInChI=1S/C7H7BrFNO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2
InChIKeyXDUSUWYLJOWLOX-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-bromo-2-fluorophenol?
The IUPAC name of 3-(aminomethyl)-6-bromo-2-fluorophenol (CID 118845822) is 3-(aminomethyl)-6-bromo-2-fluorophenol.
What is the SMILES notation for 3-(aminomethyl)-6-bromo-2-fluorophenol?
The canonical SMILES for 3-(aminomethyl)-6-bromo-2-fluorophenol is NCc1ccc(Br)c(O)c1F.
What is the InChIKey of 3-(aminomethyl)-6-bromo-2-fluorophenol?
The InChIKey is XDUSUWYLJOWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2,11H,3,10H2.
What are the key properties of 3-(aminomethyl)-6-bromo-2-fluorophenol?
3-(aminomethyl)-6-bromo-2-fluorophenol has a molecular weight of 220.04 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-bromo-2-fluorophenol is sourced from PubChem (CID 118845822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).