bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one

C13H14F6N2O3 — CID 146037528

IUPACbis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one
SMILESCc1cc(C)on1.Cc1cc(C)on1.O=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C5H7NO.C3F6O/c2*1-4-3-5(2)7-6-4;4-2(5,6)1(10)3(7,8)9/h2*3H,1-2H3;
InChIKeyNEUVJQLMKHBOGC-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.26
Rot. Bonds

About bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one

bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one (PubChem CID 146037528) has the molecular formula C13H14F6N2O3 and a molecular weight of 360.25 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one.

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one
PubChem CID146037528
Molecular FormulaC13H14F6N2O3
Molecular Weight360.25 g/mol
Exact Mass360.09
IUPAC Namebis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one
SMILESCc1cc(C)on1.Cc1cc(C)on1.O=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C5H7NO.C3F6O/c2*1-4-3-5(2)7-6-4;4-2(5,6)1(10)3(7,8)9/h2*3H,1-2H3;
InChIKeyNEUVJQLMKHBOGC-UHFFFAOYSA-N
XLogP4.26
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one?
The IUPAC name of bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one (CID 146037528) is bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one.
What is the SMILES notation for bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one?
The canonical SMILES for bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one is Cc1cc(C)on1.Cc1cc(C)on1.O=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one?
The InChIKey is NEUVJQLMKHBOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C3F6O/c2*1-4-3-5(2)7-6-4;4-2(5,6)1(10)3(7,8)9/h2*3H,1-2H3;.
What are the key properties of bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one?
bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one has a molecular weight of 360.25 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2-oxazole);1,1,1,3,3,3-hexafluoropropan-2-one is sourced from PubChem (CID 146037528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).