bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum

C8H6F12MoO2-2 — CID 158302613

IUPACbis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
SMILESCC([O-])(C(F)(F)F)C(F)(F)F.CC([O-])(C(F)(F)F)C(F)(F)F.[Mo]
InChIInChI=1S/2C4H3F6O.Mo/c2*1-2(11,3(5,6)7)4(8,9)10;/h2*1H3;/q2*-1;
InChIKeyRPZLUQNWAHVWBX-UHFFFAOYSA-N
MW458.05 g/mol
LogP2.46
Rot. Bonds

About bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum

bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum (PubChem CID 158302613) has the molecular formula C8H6F12MoO2-2 and a molecular weight of 458.05 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
PubChem CID158302613
Molecular FormulaC8H6F12MoO2-2
Molecular Weight458.05 g/mol
Exact Mass459.92
IUPAC Namebis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
SMILESCC([O-])(C(F)(F)F)C(F)(F)F.CC([O-])(C(F)(F)F)C(F)(F)F.[Mo]
InChIInChI=1S/2C4H3F6O.Mo/c2*1-2(11,3(5,6)7)4(8,9)10;/h2*1H3;/q2*-1;
InChIKeyRPZLUQNWAHVWBX-UHFFFAOYSA-N
XLogP2.46
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.05
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;hydride;1,1,1-trifluoroethane
CID 174891674
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
1,1,1-trifluoro-2-methyl-3-oxobutan-2-olate
CID 18720591
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
CID 88813201
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
2,2-difluoropropane;ethane
CID 144524394
sodium tert-butanolate
CID 131726539

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum (CID 158302613) is bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum is CC([O-])(C(F)(F)F)C(F)(F)F.CC([O-])(C(F)(F)F)C(F)(F)F.[Mo].
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum?
The InChIKey is RPZLUQNWAHVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3F6O.Mo/c2*1-2(11,3(5,6)7)4(8,9)10;/h2*1H3;/q2*-1;.
What are the key properties of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum?
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum has a molecular weight of 458.05 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum is sourced from PubChem (CID 158302613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).