(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine

C15H11F2NO — CID 112614615

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11F2NO/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8,14H,18H2
InChIKeyUULBKZSWYCFMDN-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.76
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine

(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine (PubChem CID 112614615) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
PubChem CID112614615
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H11F2NO/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8,14H,18H2
InChIKeyUULBKZSWYCFMDN-UHFFFAOYSA-N
XLogP3.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807
(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
(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)-(4-fluorophenyl)methanamine?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine (CID 112614615) is (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
The InChIKey is UULBKZSWYCFMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8,14H,18H2.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine?
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine has a molecular weight of 259.26 g/mol, XLogP of 3.76, 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)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 112614615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).