1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine

C15H10F3NO — CID 114728145

IUPAC1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C15H10F3NO/c16-10-5-9(6-11(17)14(10)18)15(19)13-7-8-3-1-2-4-12(8)20-13/h1-7,15H,19H2
InChIKeyRRRWLIYODCGEGW-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.90
Rot. Bonds2

About 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine

1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine (PubChem CID 114728145) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
PubChem CID114728145
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C15H10F3NO/c16-10-5-9(6-11(17)14(10)18)15(19)13-7-8-3-1-2-4-12(8)20-13/h1-7,15H,19H2
InChIKeyRRRWLIYODCGEGW-UHFFFAOYSA-N
XLogP3.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.90
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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Related Compounds

1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
1-benzofuran-2-yl-(3,4-difluorophenyl)methanol
CID 63089375
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine (CID 114728145) is 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine is NC(c1cc(F)c(F)c(F)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is RRRWLIYODCGEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-10-5-9(6-11(17)14(10)18)15(19)13-7-8-3-1-2-4-12(8)20-13/h1-7,15H,19H2.
What are the key properties of 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine?
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 277.25 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 114728145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).