2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine

C16H12F3NO — CID 114728807

IUPAC2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1F)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H12F3NO/c17-11-5-4-9(13(19)8-11)6-14(20)15-7-10-2-1-3-12(18)16(10)21-15/h1-5,7-8,14H,6,20H2
InChIKeyQNOLJMGHOHZSGT-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.09
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine

2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine (PubChem CID 114728807) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
PubChem CID114728807
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1F)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H12F3NO/c17-11-5-4-9(13(19)8-11)6-14(20)15-7-10-2-1-3-12(18)16(10)21-15/h1-5,7-8,14H,6,20H2
InChIKeyQNOLJMGHOHZSGT-UHFFFAOYSA-N
XLogP4.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 103544181
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine (CID 114728807) is 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine is NC(Cc1ccc(F)cc1F)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The InChIKey is QNOLJMGHOHZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-11-5-4-9(13(19)8-11)6-14(20)15-7-10-2-1-3-12(18)16(10)21-15/h1-5,7-8,14H,6,20H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine has a molecular weight of 291.27 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114728807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).