2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C12H16F4N2O4 — CID 171558141

IUPAC2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.NCC1OCCC(O)C1O
InChIInChI=1S/C6H3F4NO.C6H13NO3/c7-6(8,9)4-2-1-3-5(11-4)12-10;7-3-5-6(9)4(8)1-2-10-5/h1-3H;4-6,8-9H,1-3,7H2
InChIKeyYFZVOMAYFWMNGJ-UHFFFAOYSA-N
MW328.26 g/mol
LogP0.82
Rot. Bonds2

About 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 171558141) has the molecular formula C12H16F4N2O4 and a molecular weight of 328.26 g/mol. Its IUPAC name is 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID171558141
Molecular FormulaC12H16F4N2O4
Molecular Weight328.26 g/mol
Exact Mass328.10
IUPAC Name2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.NCC1OCCC(O)C1O
InChIInChI=1S/C6H3F4NO.C6H13NO3/c7-6(8,9)4-2-1-3-5(11-4)12-10;7-3-5-6(9)4(8)1-2-10-5/h1-3H;4-6,8-9H,1-3,7H2
InChIKeyYFZVOMAYFWMNGJ-UHFFFAOYSA-N
XLogP0.82
TPSA97.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(pyrazin-2-yloxymethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558546
ethane;2-propyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] thiohypofluorite
CID 178007705
2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557854
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4,5-triol
CID 138394701
4-(4,5-dihydroxy-6-methyloxan-2-yl)tricyclo[5.2.1.02,6]dec-4-en-3-one;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 177015719
(2R,3R,4S,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557409
2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171556862
(2R,3R,4S,5S)-2-(pyridazin-3-yloxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557180
(2R)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 99983296
2-[4-[4-[4-[(3,4-dihydroxyoxan-2-yl)methoxy]cyclohexyl]oxy-3,5-dimethylphenoxy]phenyl]ethyl-methylazanide;ethane;rubidium(1+);6-(trifluoromethyl)pyridin-2-amine
CID 177015338
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
(2R,3R,4S,5S)-2-ethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]oxane-3,4-diol
CID 171558503

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 171558141) is 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is FOc1cccc(C(F)(F)F)n1.NCC1OCCC(O)C1O.
What is the InChIKey of 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is YFZVOMAYFWMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO.C6H13NO3/c7-6(8,9)4-2-1-3-5(11-4)12-10;7-3-5-6(9)4(8)1-2-10-5/h1-3H;4-6,8-9H,1-3,7H2.
What are the key properties of 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 328.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 171558141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).