(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine

C15H11FINO — CID 105047405

IUPAC(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
SMILESNC(c1cccc(I)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11FINO/c16-12-6-2-4-10-8-13(19-15(10)12)14(18)9-3-1-5-11(17)7-9/h1-8,14H,18H2
InChIKeyGWMRVVNAABMADA-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.22
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine

(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine (PubChem CID 105047405) has the molecular formula C15H11FINO and a molecular weight of 367.16 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
PubChem CID105047405
Molecular FormulaC15H11FINO
Molecular Weight367.16 g/mol
Exact Mass366.99
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
SMILESNC(c1cccc(I)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11FINO/c16-12-6-2-4-10-8-13(19-15(10)12)14(18)9-3-1-5-11(17)7-9/h1-8,14H,18H2
InChIKeyGWMRVVNAABMADA-UHFFFAOYSA-N
XLogP4.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614611
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114730676

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine (CID 105047405) is (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine is NC(c1cccc(I)c1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine?
The InChIKey is GWMRVVNAABMADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO/c16-12-6-2-4-10-8-13(19-15(10)12)14(18)9-3-1-5-11(17)7-9/h1-8,14H,18H2.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine?
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine has a molecular weight of 367.16 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 105047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).