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

C15H9BrF3NO — CID 105146562

IUPAC(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H9BrF3NO/c16-9-3-1-2-7-6-11(21-15(7)9)14(20)8-4-5-10(17)13(19)12(8)18/h1-6,14H,20H2
InChIKeyGXFOQIKSELKHOW-UHFFFAOYSA-N
MW356.14 g/mol
LogP4.66
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine

(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 105146562) has the molecular formula C15H9BrF3NO and a molecular weight of 356.14 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID105146562
Molecular FormulaC15H9BrF3NO
Molecular Weight356.14 g/mol
Exact Mass354.98
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H9BrF3NO/c16-9-3-1-2-7-6-11(21-15(7)9)14(20)8-4-5-10(17)13(19)12(8)18/h1-6,14H,20H2
InChIKeyGXFOQIKSELKHOW-UHFFFAOYSA-N
XLogP4.66
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 54.66
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

(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
CID 106945078
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine (CID 105146562) is (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine is NC(c1cc2cccc(Br)c2o1)c1ccc(F)c(F)c1F.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is GXFOQIKSELKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3NO/c16-9-3-1-2-7-6-11(21-15(7)9)14(20)8-4-5-10(17)13(19)12(8)18/h1-6,14H,20H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine?
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 356.14 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 105146562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).