2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol

C11H12F3NO3 — CID 84711051

IUPAC2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
SMILESNC(CO)c1c(C(F)(F)F)ccc2c1OCCO2
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)6-1-2-8-10(18-4-3-17-8)9(6)7(15)5-16/h1-2,7,16H,3-5,15H2
InChIKeyXHCXYGFJVWHGGE-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol

2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol (PubChem CID 84711051) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
PubChem CID84711051
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
SMILESNC(CO)c1c(C(F)(F)F)ccc2c1OCCO2
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)6-1-2-8-10(18-4-3-17-8)9(6)7(15)5-16/h1-2,7,16H,3-5,15H2
InChIKeyXHCXYGFJVWHGGE-UHFFFAOYSA-N
XLogP1.47
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117470303
2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethanol
CID 84711057
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butanal
CID 117437879
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
CID 84696406
2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
CID 84706927
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
2-[(1S)-1-amino-2-hydroxyethyl]-6-chloro-3-(trifluoromethyl)phenol
CID 66515318
2-[(1S)-1-amino-2-hydroxyethyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171259080
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-amine
CID 117406699
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
2-amino-2-(5-bromo-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117471433

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
The IUPAC name of 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol (CID 84711051) is 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol is NC(CO)c1c(C(F)(F)F)ccc2c1OCCO2.
What is the InChIKey of 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
The InChIKey is XHCXYGFJVWHGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)6-1-2-8-10(18-4-3-17-8)9(6)7(15)5-16/h1-2,7,16H,3-5,15H2.
What are the key properties of 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol?
2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol has a molecular weight of 263.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol is sourced from PubChem (CID 84711051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).