3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine

C12H14FNO — CID 22144879

IUPAC3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine
SMILESCC(CCN)c1cc(F)cc2ccoc12
InChIInChI=1S/C12H14FNO/c1-8(2-4-14)11-7-10(13)6-9-3-5-15-12(9)11/h3,5-8H,2,4,14H2,1H3
InChIKeyIWUYHBYVWRPHFD-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.02
Rot. Bonds3

About 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine

3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine (PubChem CID 22144879) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine
PubChem CID22144879
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine
SMILESCC(CCN)c1cc(F)cc2ccoc12
InChIInChI=1S/C12H14FNO/c1-8(2-4-14)11-7-10(13)6-9-3-5-15-12(9)11/h3,5-8H,2,4,14H2,1H3
InChIKeyIWUYHBYVWRPHFD-UHFFFAOYSA-N
XLogP3.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine?
The IUPAC name of 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine (CID 22144879) is 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine is CC(CCN)c1cc(F)cc2ccoc12.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine?
The InChIKey is IWUYHBYVWRPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(2-4-14)11-7-10(13)6-9-3-5-15-12(9)11/h3,5-8H,2,4,14H2,1H3.
What are the key properties of 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine?
3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine has a molecular weight of 207.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-7-yl)butan-1-amine is sourced from PubChem (CID 22144879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).