2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

C10H11BrFNO3 — CID 117471433

IUPAC2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESNC(CO)c1c(F)cc2c(c1Br)OCCO2
InChIInChI=1S/C10H11BrFNO3/c11-9-8(6(13)4-14)5(12)3-7-10(9)16-2-1-15-7/h3,6,14H,1-2,4,13H2
InChIKeyDDYWSWMMUODNAQ-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.35
Rot. Bonds2

About 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 117471433) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID117471433
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESNC(CO)c1c(F)cc2c(c1Br)OCCO2
InChIInChI=1S/C10H11BrFNO3/c11-9-8(6(13)4-14)5(12)3-7-10(9)16-2-1-15-7/h3,6,14H,1-2,4,13H2
InChIKeyDDYWSWMMUODNAQ-UHFFFAOYSA-N
XLogP1.35
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117464755
1-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117443577
(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117411650
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
3-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117470159
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
2-amino-2-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117437407
1-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117468288
2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 84711051
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
3-amino-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117354502

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 117471433) is 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is NC(CO)c1c(F)cc2c(c1Br)OCCO2.
What is the InChIKey of 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is DDYWSWMMUODNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c11-9-8(6(13)4-14)5(12)3-7-10(9)16-2-1-15-7/h3,6,14H,1-2,4,13H2.
What are the key properties of 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 292.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 117471433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).