2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol

C10H10F3NO3 — CID 84706927

IUPAC2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
SMILESNCC(O)c1c(C(F)(F)F)ccc2c1OCO2
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)5-1-2-7-9(17-4-16-7)8(5)6(15)3-14/h1-2,6,15H,3-4,14H2
InChIKeyBOGHGJUPNPIETO-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.43
Rot. Bonds2

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

2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol (PubChem CID 84706927) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
PubChem CID84706927
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol
SMILESNCC(O)c1c(C(F)(F)F)ccc2c1OCO2
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)5-1-2-7-9(17-4-16-7)8(5)6(15)3-14/h1-2,6,15H,3-4,14H2
InChIKeyBOGHGJUPNPIETO-UHFFFAOYSA-N
XLogP1.43
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]propanoic acid
CID 117443751
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-5-yl]ethanol
CID 84711051
(5-chloro-1,3-benzodioxol-4-yl)-[2-chloro-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 139981442
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
[1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]cyclobutyl]methanamine
CID 117435342
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanol
CID 117456631
N-methyl-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]methanamine
CID 84696405
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
(1R,2R)-1-(5-bromo-1,3-benzodioxol-4-yl)-1,4,4,4-tetrafluorobutan-2-ol
CID 102291795
[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
CID 84696406
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol (CID 84706927) is 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol is NCC(O)c1c(C(F)(F)F)ccc2c1OCO2.
What is the InChIKey of 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol?
The InChIKey is BOGHGJUPNPIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)5-1-2-7-9(17-4-16-7)8(5)6(15)3-14/h1-2,6,15H,3-4,14H2.
What are the key properties of 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol?
2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol has a molecular weight of 249.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(trifluoromethyl)-1,3-benzodioxol-4-yl]ethanol is sourced from PubChem (CID 84706927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).