(6-bromo-3-chloro-2-fluorophenyl)methanamine

C7H6BrClFN — CID 83409842

IUPAC(6-bromo-3-chloro-2-fluorophenyl)methanamine
SMILESNCc1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H6BrClFN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
InChIKeySXVGXCQGKFGXJD-UHFFFAOYSA-N
MW238.49 g/mol
LogP2.70
Rot. Bonds1

About (6-bromo-3-chloro-2-fluorophenyl)methanamine

(6-bromo-3-chloro-2-fluorophenyl)methanamine (PubChem CID 83409842) has the molecular formula C7H6BrClFN and a molecular weight of 238.49 g/mol. Its IUPAC name is (6-bromo-3-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-chloro-2-fluorophenyl)methanamine
PubChem CID83409842
Molecular FormulaC7H6BrClFN
Molecular Weight238.49 g/mol
Exact Mass236.94
IUPAC Name(6-bromo-3-chloro-2-fluorophenyl)methanamine
SMILESNCc1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H6BrClFN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
InChIKeySXVGXCQGKFGXJD-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (6-bromo-3-chloro-2-fluorophenyl)methanamine (CID 83409842) is (6-bromo-3-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (6-bromo-3-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (6-bromo-3-chloro-2-fluorophenyl)methanamine is NCc1c(Br)ccc(Cl)c1F.
What is the InChIKey of (6-bromo-3-chloro-2-fluorophenyl)methanamine?
The InChIKey is SXVGXCQGKFGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2.
What are the key properties of (6-bromo-3-chloro-2-fluorophenyl)methanamine?
(6-bromo-3-chloro-2-fluorophenyl)methanamine has a molecular weight of 238.49 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 83409842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).