cerium;1,1,1,3,3,3-hexafluoropropan-2-one

C3CeF6O — CID 90019366

IUPACcerium;1,1,1,3,3,3-hexafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)F.[Ce]
InChIInChI=1S/C3F6O.Ce/c4-2(5,6)1(10)3(7,8)9;
InChIKeyAWMJZPRACCREMU-UHFFFAOYSA-N
MW306.14 g/mol
LogP1.68
Rot. Bonds

About cerium;1,1,1,3,3,3-hexafluoropropan-2-one

cerium;1,1,1,3,3,3-hexafluoropropan-2-one (PubChem CID 90019366) has the molecular formula C3CeF6O and a molecular weight of 306.14 g/mol. Its IUPAC name is cerium;1,1,1,3,3,3-hexafluoropropan-2-one.

Molecular Properties

Compound Namecerium;1,1,1,3,3,3-hexafluoropropan-2-one
PubChem CID90019366
Molecular FormulaC3CeF6O
Molecular Weight306.14 g/mol
Exact Mass305.89
IUPAC Namecerium;1,1,1,3,3,3-hexafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)F.[Ce]
InChIInChI=1S/C3F6O.Ce/c4-2(5,6)1(10)3(7,8)9;
InChIKeyAWMJZPRACCREMU-UHFFFAOYSA-N
XLogP1.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cerium;1,1,1,3,3,3-hexafluoropropan-2-one?
The IUPAC name of cerium;1,1,1,3,3,3-hexafluoropropan-2-one (CID 90019366) is cerium;1,1,1,3,3,3-hexafluoropropan-2-one.
What is the SMILES notation for cerium;1,1,1,3,3,3-hexafluoropropan-2-one?
The canonical SMILES for cerium;1,1,1,3,3,3-hexafluoropropan-2-one is O=C(C(F)(F)F)C(F)(F)F.[Ce].
What is the InChIKey of cerium;1,1,1,3,3,3-hexafluoropropan-2-one?
The InChIKey is AWMJZPRACCREMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O.Ce/c4-2(5,6)1(10)3(7,8)9;.
What are the key properties of cerium;1,1,1,3,3,3-hexafluoropropan-2-one?
cerium;1,1,1,3,3,3-hexafluoropropan-2-one has a molecular weight of 306.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;1,1,1,3,3,3-hexafluoropropan-2-one is sourced from PubChem (CID 90019366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).