but-3-en-1-one;cobalt(3+);difluoride

C4H5CoF2O — CID 87627227

IUPACbut-3-en-1-one;cobalt(3+);difluoride
SMILESC=CC[C-]=O.[Co+3].[F-].[F-]
InChIInChI=1S/C4H5O.Co.2FH/c1-2-3-4-5;;;/h2H,1,3H2;;2*1H/q-1;+3;;/p-2
InChIKeySFCFUEDQFVBGOA-UHFFFAOYSA-L
MW166.01 g/mol
LogP-5.32
Rot. Bonds2

About but-3-en-1-one;cobalt(3+);difluoride

but-3-en-1-one;cobalt(3+);difluoride (PubChem CID 87627227) has the molecular formula C4H5CoF2O and a molecular weight of 166.01 g/mol. Its IUPAC name is but-3-en-1-one;cobalt(3+);difluoride.

Molecular Properties

Compound Namebut-3-en-1-one;cobalt(3+);difluoride
PubChem CID87627227
Molecular FormulaC4H5CoF2O
Molecular Weight166.01 g/mol
Exact Mass165.96
IUPAC Namebut-3-en-1-one;cobalt(3+);difluoride
SMILESC=CC[C-]=O.[Co+3].[F-].[F-]
InChIInChI=1S/C4H5O.Co.2FH/c1-2-3-4-5;;;/h2H,1,3H2;;2*1H/q-1;+3;;/p-2
InChIKeySFCFUEDQFVBGOA-UHFFFAOYSA-L
XLogP-5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 5-5.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-en-1-one;cobalt(3+);difluoride?
The IUPAC name of but-3-en-1-one;cobalt(3+);difluoride (CID 87627227) is but-3-en-1-one;cobalt(3+);difluoride.
What is the SMILES notation for but-3-en-1-one;cobalt(3+);difluoride?
The canonical SMILES for but-3-en-1-one;cobalt(3+);difluoride is C=CC[C-]=O.[Co+3].[F-].[F-].
What is the InChIKey of but-3-en-1-one;cobalt(3+);difluoride?
The InChIKey is SFCFUEDQFVBGOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H5O.Co.2FH/c1-2-3-4-5;;;/h2H,1,3H2;;2*1H/q-1;+3;;/p-2.
What are the key properties of but-3-en-1-one;cobalt(3+);difluoride?
but-3-en-1-one;cobalt(3+);difluoride has a molecular weight of 166.01 g/mol, XLogP of -5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-1-one;cobalt(3+);difluoride is sourced from PubChem (CID 87627227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).