[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine

C11H8F3NO — CID 62812550

IUPAC[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C11H8F3NO/c12-8-3-6(4-9(13)11(8)14)10-2-1-7(5-15)16-10/h1-4H,5,15H2
InChIKeyALHQNUOKNDWBNC-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.82
Rot. Bonds2

About [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine

[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine (PubChem CID 62812550) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine
PubChem CID62812550
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C11H8F3NO/c12-8-3-6(4-9(13)11(8)14)10-2-1-7(5-15)16-10/h1-4H,5,15H2
InChIKeyALHQNUOKNDWBNC-UHFFFAOYSA-N
XLogP2.82
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine (CID 62812550) is [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine is NCc1ccc(-c2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine?
The InChIKey is ALHQNUOKNDWBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-8-3-6(4-9(13)11(8)14)10-2-1-7(5-15)16-10/h1-4H,5,15H2.
What are the key properties of [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine?
[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine has a molecular weight of 227.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine is sourced from PubChem (CID 62812550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).