[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine

C11H9BrFNO — CID 43363465

IUPAC[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C11H9BrFNO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5H,6,14H2
InChIKeyQEHBEISVVPNREX-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.31
Rot. Bonds2

About [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine

[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine (PubChem CID 43363465) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine
PubChem CID43363465
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C11H9BrFNO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5H,6,14H2
InChIKeyQEHBEISVVPNREX-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine (CID 43363465) is [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine is NCc1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine?
The InChIKey is QEHBEISVVPNREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-5H,6,14H2.
What are the key properties of [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine?
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine has a molecular weight of 270.10 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine is sourced from PubChem (CID 43363465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).