(4,6-dimethyloxan-2-yl) hypofluorite;ethane

C9H19FO2 — CID 143417811

IUPAC(4,6-dimethyloxan-2-yl) hypofluorite;ethane
SMILESCC.CC1CC(C)OC(OF)C1
InChIInChI=1S/C7H13FO2.C2H6/c1-5-3-6(2)9-7(4-5)10-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyWMWHPZVLVHJWQG-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.07
Rot. Bonds1

About (4,6-dimethyloxan-2-yl) hypofluorite;ethane

(4,6-dimethyloxan-2-yl) hypofluorite;ethane (PubChem CID 143417811) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is (4,6-dimethyloxan-2-yl) hypofluorite;ethane.

Molecular Properties

Compound Name(4,6-dimethyloxan-2-yl) hypofluorite;ethane
PubChem CID143417811
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name(4,6-dimethyloxan-2-yl) hypofluorite;ethane
SMILESCC.CC1CC(C)OC(OF)C1
InChIInChI=1S/C7H13FO2.C2H6/c1-5-3-6(2)9-7(4-5)10-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyWMWHPZVLVHJWQG-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyloxan-2-yl) hypofluorite;ethane?
The IUPAC name of (4,6-dimethyloxan-2-yl) hypofluorite;ethane (CID 143417811) is (4,6-dimethyloxan-2-yl) hypofluorite;ethane.
What is the SMILES notation for (4,6-dimethyloxan-2-yl) hypofluorite;ethane?
The canonical SMILES for (4,6-dimethyloxan-2-yl) hypofluorite;ethane is CC.CC1CC(C)OC(OF)C1.
What is the InChIKey of (4,6-dimethyloxan-2-yl) hypofluorite;ethane?
The InChIKey is WMWHPZVLVHJWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2.C2H6/c1-5-3-6(2)9-7(4-5)10-8;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of (4,6-dimethyloxan-2-yl) hypofluorite;ethane?
(4,6-dimethyloxan-2-yl) hypofluorite;ethane has a molecular weight of 178.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyloxan-2-yl) hypofluorite;ethane is sourced from PubChem (CID 143417811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).