3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine

C12H13F2NO — CID 117322960

IUPAC3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
SMILESCC(CCN)c1c(F)cc(F)c2occc12
InChIInChI=1S/C12H13F2NO/c1-7(2-4-15)11-8-3-5-16-12(8)10(14)6-9(11)13/h3,5-7H,2,4,15H2,1H3
InChIKeyJLBCLFOFHHKDHE-UHFFFAOYSA-N
MW225.24 g/mol
LogP3.16
Rot. Bonds3

About 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine

3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine (PubChem CID 117322960) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
PubChem CID117322960
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
SMILESCC(CCN)c1c(F)cc(F)c2occc12
InChIInChI=1S/C12H13F2NO/c1-7(2-4-15)11-8-3-5-16-12(8)10(14)6-9(11)13/h3,5-7H,2,4,15H2,1H3
InChIKeyJLBCLFOFHHKDHE-UHFFFAOYSA-N
XLogP3.16
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
CID 117393392
1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol
CID 117326258
2-(8-methylfuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
CID 117330543
8-(1-aminopropan-2-yl)furo[2,3-f][1]benzofuran-4-ol
CID 117333899
2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
CID 117283511
3-amino-2-(4,6-difluoro-1-benzofuran-7-yl)propanoic acid
CID 117354378
3-[4-(trifluoromethyl)-1-benzofuran-6-yl]butan-1-amine
CID 22144841
(5,7-difluoro-1-benzofuran-4-yl)methanol
CID 117279692
(5,7-dimethyl-1-benzofuran-4-yl)methanamine;5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156724956
[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117380348
3-(7-methoxy-1-benzofuran-5-yl)butan-1-amine
CID 117312696

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine?
The IUPAC name of 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine (CID 117322960) is 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine.
What is the SMILES notation for 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine?
The canonical SMILES for 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine is CC(CCN)c1c(F)cc(F)c2occc12.
What is the InChIKey of 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine?
The InChIKey is JLBCLFOFHHKDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-7(2-4-15)11-8-3-5-16-12(8)10(14)6-9(11)13/h3,5-7H,2,4,15H2,1H3.
What are the key properties of 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine?
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine is sourced from PubChem (CID 117322960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).