1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine

C12H13F2NO — CID 117322946

IUPAC1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
SMILESNC1(c2c(F)cc3c(c2F)CCO3)CCC1
InChIInChI=1S/C12H13F2NO/c13-8-6-9-7(2-5-16-9)11(14)10(8)12(15)3-1-4-12/h6H,1-5,15H2
InChIKeyFGLNUGVTKNBPPL-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.24
Rot. Bonds1

About 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine

1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine (PubChem CID 117322946) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
PubChem CID117322946
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
SMILESNC1(c2c(F)cc3c(c2F)CCO3)CCC1
InChIInChI=1S/C12H13F2NO/c13-8-6-9-7(2-5-16-9)11(14)10(8)12(15)3-1-4-12/h6H,1-5,15H2
InChIKeyFGLNUGVTKNBPPL-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
1-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopropan-1-amine
CID 117301025
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclohexan-1-amine
CID 117342628
3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84791240
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84782675
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentan-1-amine
CID 117448866
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclohexan-1-amine
CID 117474079
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutan-1-amine
CID 117422934

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine?
The IUPAC name of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine (CID 117322946) is 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine is NC1(c2c(F)cc3c(c2F)CCO3)CCC1.
What is the InChIKey of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine?
The InChIKey is FGLNUGVTKNBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-8-6-9-7(2-5-16-9)11(14)10(8)12(15)3-1-4-12/h6H,1-5,15H2.
What are the key properties of 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine?
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 117322946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).