2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol

C11H11F2NO2 — CID 84791246

IUPAC2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol
SMILESCC(N)C(O)c1c(F)cc2occc2c1F
InChIInChI=1S/C11H11F2NO2/c1-5(14)11(15)9-7(12)4-8-6(10(9)13)2-3-16-8/h2-5,11,15H,14H2,1H3
InChIKeyKCDOWIIKQDXANO-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.09
Rot. Bonds2

About 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol

2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 84791246) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol
PubChem CID84791246
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol
SMILESCC(N)C(O)c1c(F)cc2occc2c1F
InChIInChI=1S/C11H11F2NO2/c1-5(14)11(15)9-7(12)4-8-6(10(9)13)2-3-16-8/h2-5,11,15H,14H2,1H3
InChIKeyKCDOWIIKQDXANO-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid
CID 84800371
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 84792628
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960
2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
CID 117297072
1-(5-chloro-1-benzofuran-4-yl)ethanol
CID 117286507
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
(1R,2S)-1-amino-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 131565436
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol (CID 84791246) is 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol is CC(N)C(O)c1c(F)cc2occc2c1F.
What is the InChIKey of 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is KCDOWIIKQDXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-5(14)11(15)9-7(12)4-8-6(10(9)13)2-3-16-8/h2-5,11,15H,14H2,1H3.
What are the key properties of 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol?
2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 227.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 84791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).