2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C11H13F2NO2 — CID 84792628

IUPAC2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCC(N)C(O)c1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C11H13F2NO2/c1-5(14)11(15)9-7(12)4-8-6(10(9)13)2-3-16-8/h4-5,11,15H,2-3,14H2,1H3
InChIKeyHZHRZLZLUDDLAT-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.28
Rot. Bonds2

About 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 84792628) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID84792628
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCC(N)C(O)c1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C11H13F2NO2/c1-5(14)11(15)9-7(12)4-8-6(10(9)13)2-3-16-8/h4-5,11,15H,2-3,14H2,1H3
InChIKeyHZHRZLZLUDDLAT-UHFFFAOYSA-N
XLogP1.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84782675
3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84791240
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
1-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117443577
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 84800463
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
CID 84812515
4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methylpyrrolidin-2-one
CID 126653349
ethyl 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117352699

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 84792628) is 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is CC(N)C(O)c1c(F)cc2c(c1F)CCO2.
What is the InChIKey of 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is HZHRZLZLUDDLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-5(14)11(15)9-7(12)4-8-6(10(9)13)2-3-16-8/h4-5,11,15H,2-3,14H2,1H3.
What are the key properties of 2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 229.23 g/mol, XLogP of 1.28, 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-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 84792628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).