ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C15H23F4NO4 — CID 171558525

IUPACethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC.CCC1OCCC(O)C1O.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H14O3.C6H3F4NO.C2H6/c1-2-6-7(9)5(8)3-4-10-6;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h5-9H,2-4H2,1H3;1-3H;1-2H3
InChIKeyDSGUUWGNHPGNMP-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.30
Rot. Bonds2

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

ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 171558525) has the molecular formula C15H23F4NO4 and a molecular weight of 357.34 g/mol. Its IUPAC name is ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Nameethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID171558525
Molecular FormulaC15H23F4NO4
Molecular Weight357.34 g/mol
Exact Mass357.16
IUPAC Nameethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC.CCC1OCCC(O)C1O.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H14O3.C6H3F4NO.C2H6/c1-2-6-7(9)5(8)3-4-10-6;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h5-9H,2-4H2,1H3;1-3H;1-2H3
InChIKeyDSGUUWGNHPGNMP-UHFFFAOYSA-N
XLogP3.30
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S)-1-fluoro-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 177855958
(1R)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanol
CID 170748259
(2R,3R,4S,5S)-2-(2-methylprop-2-enyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556566
[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methanol
CID 171556666
(2S,3R,4S,5R,6R)-2-(difluoromethyl)-6-phenyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556684
(2R,3R,4S,5R,6R)-6-[(1S)-1-hydroxyethyl]-2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
CID 171556719
[(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
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyridine
CID 171556780
[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 171556900
lithium (2S,3S,4S)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]pentane-2,3-diol
CID 171556931
4-ethynyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171556975
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methoxy thiohypoiodite;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171556990

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 171558525) is ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC.CCC1OCCC(O)C1O.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is DSGUUWGNHPGNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C6H3F4NO.C2H6/c1-2-6-7(9)5(8)3-4-10-6;7-6(8,9)4-2-1-3-5(11-4)12-10;1-2/h5-9H,2-4H2,1H3;1-3H;1-2H3.
What are the key properties of ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 357.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 171558525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).