[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone

C14H14FNO2 — CID 114737162

IUPAC[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESNCC1(C(=O)c2cc3cc(F)ccc3o2)CCC1
InChIInChI=1S/C14H14FNO2/c15-10-2-3-11-9(6-10)7-12(18-11)13(17)14(8-16)4-1-5-14/h2-3,6-7H,1,4-5,8,16H2
InChIKeyASELKYJQDXOIKY-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.88
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone

[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114737162) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114737162
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESNCC1(C(=O)c2cc3cc(F)ccc3o2)CCC1
InChIInChI=1S/C14H14FNO2/c15-10-2-3-11-9(6-10)7-12(18-11)13(17)14(8-16)4-1-5-14/h2-3,6-7H,1,4-5,8,16H2
InChIKeyASELKYJQDXOIKY-UHFFFAOYSA-N
XLogP2.88
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
CID 114725249
(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
CID 114725865
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone (CID 114737162) is [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone is NCC1(C(=O)c2cc3cc(F)ccc3o2)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is ASELKYJQDXOIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-10-2-3-11-9(6-10)7-12(18-11)13(17)14(8-16)4-1-5-14/h2-3,6-7H,1,4-5,8,16H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 247.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114737162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).