2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol

C10H12FNO3 — CID 83886011

IUPAC2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol
SMILESNC(CO)c1ccc(F)c2c1OCOC2
InChIInChI=1S/C10H12FNO3/c11-8-2-1-6(9(12)3-13)10-7(8)4-14-5-15-10/h1-2,9,13H,3-5,12H2
InChIKeyNBMXIBAOYVAHFJ-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.68
Rot. Bonds2

About 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol

2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol (PubChem CID 83886011) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol
PubChem CID83886011
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol
SMILESNC(CO)c1ccc(F)c2c1OCOC2
InChIInChI=1S/C10H12FNO3/c11-8-2-1-6(9(12)3-13)10-7(8)4-14-5-15-10/h1-2,9,13H,3-5,12H2
InChIKeyNBMXIBAOYVAHFJ-UHFFFAOYSA-N
XLogP0.68
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83880038
2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323
(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528
(2S)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 55277961
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
1-(7-fluoro-1,3-benzodioxol-4-yl)ethanamine
CID 117279375
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol?
The IUPAC name of 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol (CID 83886011) is 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol is NC(CO)c1ccc(F)c2c1OCOC2.
What is the InChIKey of 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol?
The InChIKey is NBMXIBAOYVAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-2-1-6(9(12)3-13)10-7(8)4-14-5-15-10/h1-2,9,13H,3-5,12H2.
What are the key properties of 2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol?
2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol has a molecular weight of 213.21 g/mol, XLogP of 0.68, 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-fluoro-4H-1,3-benzodioxin-8-yl)ethanol is sourced from PubChem (CID 83886011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).