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

C17H12FNO2 — CID 114730676

IUPAC1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cc2cccc(F)c2o1)c1coc2ccccc12
InChIInChI=1S/C17H12FNO2/c18-13-6-3-4-10-8-15(21-17(10)13)16(19)12-9-20-14-7-2-1-5-11(12)14/h1-9,16H,19H2
InChIKeyIGCVUOVUFUZLDW-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.37
Rot. Bonds2

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

1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 114730676) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID114730676
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESNC(c1cc2cccc(F)c2o1)c1coc2ccccc12
InChIInChI=1S/C17H12FNO2/c18-13-6-3-4-10-8-15(21-17(10)13)16(19)12-9-20-14-7-2-1-5-11(12)14/h1-9,16H,19H2
InChIKeyIGCVUOVUFUZLDW-UHFFFAOYSA-N
XLogP4.37
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
3-[amino(1-benzofuran-3-yl)methyl]aniline
CID 116936632
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
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

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 114730676) is 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine is NC(c1cc2cccc(F)c2o1)c1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is IGCVUOVUFUZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-13-6-3-4-10-8-15(21-17(10)13)16(19)12-9-20-14-7-2-1-5-11(12)14/h1-9,16H,19H2.
What are the key properties of 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine?
1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 281.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114730676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).