2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C18H27F4N3O7 — CID 171558212

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.NCCOCCOCC(=O)NCC1OCCC(O)C1O
InChIInChI=1S/C12H24N2O6.C6H3F4NO/c13-2-4-18-5-6-19-8-11(16)14-7-10-12(17)9(15)1-3-20-10;7-6(8,9)4-2-1-3-5(11-4)12-10/h9-10,12,15,17H,1-8,13H2,(H,14,16);1-3H
InChIKeyHXENWYRUFXCSQM-UHFFFAOYSA-N
MW473.42 g/mol
LogP-0.03
Rot. Bonds10

About 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 171558212) has the molecular formula C18H27F4N3O7 and a molecular weight of 473.42 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID171558212
Molecular FormulaC18H27F4N3O7
Molecular Weight473.42 g/mol
Exact Mass473.18
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.NCCOCCOCC(=O)NCC1OCCC(O)C1O
InChIInChI=1S/C12H24N2O6.C6H3F4NO/c13-2-4-18-5-6-19-8-11(16)14-7-10-12(17)9(15)1-3-20-10;7-6(8,9)4-2-1-3-5(11-4)12-10/h9-10,12,15,17H,1-8,13H2,(H,14,16);1-3H
InChIKeyHXENWYRUFXCSQM-UHFFFAOYSA-N
XLogP-0.03
TPSA145.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide
CID 171556615
2-(Piperidin-1-ylmethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557177
2-[2-[2-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carbonyl]amino]ethoxy]ethoxy]acetic acid
CID 171557261
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]formamide;ethane;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557262
(2R,3R,4S,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171558026
2-(Aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558141
2-[2-[2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methylamino]-2-oxoethoxy]ethoxy]acetic acid
CID 171558436
(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171558566
2-(Pyrrolidin-1-ylmethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558887
2-[2-(2-Formamidoethoxy)ethoxy]acetic acid;2-(2-methyloxan-3-yl)oxy-6-(trifluoromethyl)pyridine
CID 177015285
2-[2-[2-[[(2S,3R,6R)-6-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-2-carbonyl]amino]ethoxy]ethoxy]acetic acid
CID 177015595
6-Amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 171558212) is 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is FOc1cccc(C(F)(F)F)n1.NCCOCCOCC(=O)NCC1OCCC(O)C1O.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is HXENWYRUFXCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6.C6H3F4NO/c13-2-4-18-5-6-19-8-11(16)14-7-10-12(17)9(15)1-3-20-10;7-6(8,9)4-2-1-3-5(11-4)12-10/h9-10,12,15,17H,1-8,13H2,(H,14,16);1-3H.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 473.42 g/mol, XLogP of -0.03, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-N-[(3,4-dihydroxyoxan-2-yl)methyl]acetamide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 171558212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).