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

Name: Bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₆F₁₂MoO₂-2 — CID 158302613

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
PubChem CID	158302613
Molecular Formula	C₈H₆F₁₂MoO₂-2
Molecular Weight	458.05 g/mol
Exact Mass	459.92
IUPAC Name	bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
SMILES	CC([O-])(C(F)(F)F)C(F)(F)F.CC([O-])(C(F)(F)F)C(F)(F)F.[Mo]
InChI	InChI=1S/2C4H3F6O.Mo/c21-2(11,3(5,6)7)4(8,9)10;/h21H3;/q2*-1;
InChIKey	RPZLUQNWAHVWBX-UHFFFAOYSA-N
XLogP	2.46
TPSA	46.12 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.05
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 158302613 — identifiers, structure, computed properties (public domain)

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