ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite

C15H24F4N2O5 — CID 178008147

IUPACethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite
SMILESCC.CCOCC1OCCC(O)C1O.FOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O4.C5H2F4N2O.C2H6/c1-2-11-5-7-8(10)6(9)3-4-12-7;6-5(7,8)3-1-2-10-4(11-3)12-9;1-2/h6-10H,2-5H2,1H3;1-2H;1-2H3
InChIKeyXJMOKKPRZKEYIS-UHFFFAOYSA-N
MW388.36 g/mol
LogP2.32
Rot. Bonds4

About ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite

ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite (PubChem CID 178008147) has the molecular formula C15H24F4N2O5 and a molecular weight of 388.36 g/mol. Its IUPAC name is ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite.

Molecular Properties

Compound Nameethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite
PubChem CID178008147
Molecular FormulaC15H24F4N2O5
Molecular Weight388.36 g/mol
Exact Mass388.16
IUPAC Nameethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite
SMILESCC.CCOCC1OCCC(O)C1O.FOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H16O4.C5H2F4N2O.C2H6/c1-2-11-5-7-8(10)6(9)3-4-12-7;6-5(7,8)3-1-2-10-4(11-3)12-9;1-2/h6-10H,2-5H2,1H3;1-2H;1-2H3
InChIKeyXJMOKKPRZKEYIS-UHFFFAOYSA-N
XLogP2.32
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite?
The IUPAC name of ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite (CID 178008147) is ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite.
What is the SMILES notation for ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite?
The canonical SMILES for ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite is CC.CCOCC1OCCC(O)C1O.FOc1nccc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite?
The InChIKey is XJMOKKPRZKEYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.C5H2F4N2O.C2H6/c1-2-11-5-7-8(10)6(9)3-4-12-7;6-5(7,8)3-1-2-10-4(11-3)12-9;1-2/h6-10H,2-5H2,1H3;1-2H;1-2H3.
What are the key properties of ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite?
ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite has a molecular weight of 388.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethoxymethyl)oxane-3,4-diol;[4-(trifluoromethyl)pyrimidin-2-yl] hypofluorite is sourced from PubChem (CID 178008147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).