6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C12H16F4N2O4 — CID 178007713

IUPAC6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OC(N)CC(O)C1O.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H13NO3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-3-6(9)4(8)2-5(7)10-3/h1-3H;3-6,8-9H,2,7H2,1H3
InChIKeyUAPNMCGOIHRFFI-UHFFFAOYSA-N
MW328.26 g/mol
LogP1.17
Rot. Bonds1

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

6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 178007713) has the molecular formula C12H16F4N2O4 and a molecular weight of 328.26 g/mol. Its IUPAC name is 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID178007713
Molecular FormulaC12H16F4N2O4
Molecular Weight328.26 g/mol
Exact Mass328.10
IUPAC Name6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OC(N)CC(O)C1O.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H13NO3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-3-6(9)4(8)2-5(7)10-3/h1-3H;3-6,8-9H,2,7H2,1H3
InChIKeyUAPNMCGOIHRFFI-UHFFFAOYSA-N
XLogP1.17
TPSA97.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl (2Z)-N-methylpenta-2,4-dienimidate
CID 171556723
(2R,3R,4S,5R,6R)-2,6-dimethyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557033
(3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557089
2-Ethynyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557121
2-(Piperidin-1-ylmethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557177
(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
CID 171557231
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,5R,6R)-2-methyl-6-propa-1,2-dienyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557276
(2R,3R,4S,5R,6R)-6-(3-hydroxyprop-1-ynyl)-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171557315
2-Methoxy-6-(trifluoromethyl)pyridine;2-methyloxane-3,4-diol
CID 171557829
3-Methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557884
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanamine;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171557989

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 178007713) is 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC1OC(N)CC(O)C1O.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is UAPNMCGOIHRFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO.C6H13NO3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-3-6(9)4(8)2-5(7)10-3/h1-3H;3-6,8-9H,2,7H2,1H3.
What are the key properties of 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 328.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 178007713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).