2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine

C11H11F2NO — CID 117301032

IUPAC2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
SMILESCC(CN)c1c(F)cc(F)c2occc12
InChIInChI=1S/C11H11F2NO/c1-6(5-14)10-7-2-3-15-11(7)9(13)4-8(10)12/h2-4,6H,5,14H2,1H3
InChIKeyLAVUWZCNGXLBSL-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.77
Rot. Bonds2

About 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine

2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine (PubChem CID 117301032) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
PubChem CID117301032
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
SMILESCC(CN)c1c(F)cc(F)c2occc12
InChIInChI=1S/C11H11F2NO/c1-6(5-14)10-7-2-3-15-11(7)9(13)4-8(10)12/h2-4,6H,5,14H2,1H3
InChIKeyLAVUWZCNGXLBSL-UHFFFAOYSA-N
XLogP2.77
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960
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
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
3-amino-2-(4,6-difluoro-1-benzofuran-7-yl)propanoic acid
CID 117354378
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
(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
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine?
The IUPAC name of 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine (CID 117301032) is 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine.
What is the SMILES notation for 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine?
The canonical SMILES for 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine is CC(CN)c1c(F)cc(F)c2occc12.
What is the InChIKey of 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine?
The InChIKey is LAVUWZCNGXLBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-6(5-14)10-7-2-3-15-11(7)9(13)4-8(10)12/h2-4,6H,5,14H2,1H3.
What are the key properties of 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine?
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine is sourced from PubChem (CID 117301032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).