3-(2-aminobutyl)-6-fluorochromen-4-one

C13H14FNO2 — CID 170889079

IUPAC3-(2-aminobutyl)-6-fluorochromen-4-one
SMILESCCC(N)Cc1coc2ccc(F)cc2c1=O
InChIInChI=1S/C13H14FNO2/c1-2-10(15)5-8-7-17-12-4-3-9(14)6-11(12)13(8)16/h3-4,6-7,10H,2,5,15H2,1H3
InChIKeyLENIGLKZRMBYNH-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.21
Rot. Bonds3

About 3-(2-aminobutyl)-6-fluorochromen-4-one

3-(2-aminobutyl)-6-fluorochromen-4-one (PubChem CID 170889079) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-(2-aminobutyl)-6-fluorochromen-4-one.

Molecular Properties

Compound Name3-(2-aminobutyl)-6-fluorochromen-4-one
PubChem CID170889079
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-(2-aminobutyl)-6-fluorochromen-4-one
SMILESCCC(N)Cc1coc2ccc(F)cc2c1=O
InChIInChI=1S/C13H14FNO2/c1-2-10(15)5-8-7-17-12-4-3-9(14)6-11(12)13(8)16/h3-4,6-7,10H,2,5,15H2,1H3
InChIKeyLENIGLKZRMBYNH-UHFFFAOYSA-N
XLogP2.21
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-fluoro-3-(propan-2-ylsulfonylmethyl)-1-benzofuran
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3-(chloromethyl)-5-fluoro-1-benzofuran
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5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
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3-(aminomethyl)-6-ethylchromen-4-one
CID 45094677
3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride
CID 170892270
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
methyl 6-fluoro-4-oxochromene-3-carboxylate
CID 170871804
5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-6-fluorochromen-4-one?
The IUPAC name of 3-(2-aminobutyl)-6-fluorochromen-4-one (CID 170889079) is 3-(2-aminobutyl)-6-fluorochromen-4-one.
What is the SMILES notation for 3-(2-aminobutyl)-6-fluorochromen-4-one?
The canonical SMILES for 3-(2-aminobutyl)-6-fluorochromen-4-one is CCC(N)Cc1coc2ccc(F)cc2c1=O.
What is the InChIKey of 3-(2-aminobutyl)-6-fluorochromen-4-one?
The InChIKey is LENIGLKZRMBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-10(15)5-8-7-17-12-4-3-9(14)6-11(12)13(8)16/h3-4,6-7,10H,2,5,15H2,1H3.
What are the key properties of 3-(2-aminobutyl)-6-fluorochromen-4-one?
3-(2-aminobutyl)-6-fluorochromen-4-one has a molecular weight of 235.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-6-fluorochromen-4-one is sourced from PubChem (CID 170889079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).