[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine

C13H16FNO — CID 117315929

IUPAC[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3c(c2F)CCO3)CCC1
InChIInChI=1S/C13H16FNO/c14-12-9-4-7-16-11(9)3-2-10(12)13(8-15)5-1-6-13/h2-3H,1,4-8,15H2
InChIKeyFTLFROPRGHTJAP-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.14
Rot. Bonds2

About [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine

[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine (PubChem CID 117315929) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
PubChem CID117315929
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3c(c2F)CCO3)CCC1
InChIInChI=1S/C13H16FNO/c14-12-9-4-7-16-11(9)3-2-10(12)13(8-15)5-1-6-13/h2-3H,1,4-8,15H2
InChIKeyFTLFROPRGHTJAP-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
CID 117371101
4-fluoro-5-(1-isocyanatocyclopentyl)-2,3-dihydro-1-benzofuran
CID 117370100
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
[1-(4-fluoro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117312317
4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
6-[1-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376467
[1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117423233
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine (CID 117315929) is [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine is NCC1(c2ccc3c(c2F)CCO3)CCC1.
What is the InChIKey of [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
The InChIKey is FTLFROPRGHTJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-9-4-7-16-11(9)3-2-10(12)13(8-15)5-1-6-13/h2-3H,1,4-8,15H2.
What are the key properties of [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine?
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117315929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).