1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine

C16H13F2NO — CID 114732472

IUPAC1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C16H13F2NO/c1-9(19)10-5-6-13(17)12(7-10)15-8-11-3-2-4-14(18)16(11)20-15/h2-9H,19H2,1H3
InChIKeyRXDNWNWYTFJHQF-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.40
Rot. Bonds2

About 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine

1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114732472) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114732472
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C16H13F2NO/c1-9(19)10-5-6-13(17)12(7-10)15-8-11-3-2-4-14(18)16(11)20-15/h2-9H,19H2,1H3
InChIKeyRXDNWNWYTFJHQF-UHFFFAOYSA-N
XLogP4.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732293
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
CID 107663435
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine (CID 114732472) is 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine is CC(N)c1ccc(F)c(-c2cc3cccc(F)c3o2)c1.
What is the InChIKey of 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is RXDNWNWYTFJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-9(19)10-5-6-13(17)12(7-10)15-8-11-3-2-4-14(18)16(11)20-15/h2-9H,19H2,1H3.
What are the key properties of 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 273.28 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114732472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).