but-3-en-1-one;cobalt;dihydrofluoride

C4H7CoF2O- — CID 87627228

IUPACbut-3-en-1-one;cobalt;dihydrofluoride
SMILESC=CC[C-]=O.F.F.[Co]
InChIInChI=1S/C4H5O.Co.2FH/c1-2-3-4-5;;;/h2H,1,3H2;;2*1H/q-1;;;
InChIKeyAKAWLPMNMYMOCD-UHFFFAOYSA-N
MW168.03 g/mol
LogP0.97
Rot. Bonds2

About but-3-en-1-one;cobalt;dihydrofluoride

but-3-en-1-one;cobalt;dihydrofluoride (PubChem CID 87627228) has the molecular formula C4H7CoF2O- and a molecular weight of 168.03 g/mol. Its IUPAC name is but-3-en-1-one;cobalt;dihydrofluoride.

Molecular Properties

Compound Namebut-3-en-1-one;cobalt;dihydrofluoride
PubChem CID87627228
Molecular FormulaC4H7CoF2O-
Molecular Weight168.03 g/mol
Exact Mass167.98
IUPAC Namebut-3-en-1-one;cobalt;dihydrofluoride
SMILESC=CC[C-]=O.F.F.[Co]
InChIInChI=1S/C4H5O.Co.2FH/c1-2-3-4-5;;;/h2H,1,3H2;;2*1H/q-1;;;
InChIKeyAKAWLPMNMYMOCD-UHFFFAOYSA-N
XLogP0.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 50.97
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;dihydrofluoride?
The IUPAC name of but-3-en-1-one;cobalt;dihydrofluoride (CID 87627228) is but-3-en-1-one;cobalt;dihydrofluoride.
What is the SMILES notation for but-3-en-1-one;cobalt;dihydrofluoride?
The canonical SMILES for but-3-en-1-one;cobalt;dihydrofluoride is C=CC[C-]=O.F.F.[Co].
What is the InChIKey of but-3-en-1-one;cobalt;dihydrofluoride?
The InChIKey is AKAWLPMNMYMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O.Co.2FH/c1-2-3-4-5;;;/h2H,1,3H2;;2*1H/q-1;;;.
What are the key properties of but-3-en-1-one;cobalt;dihydrofluoride?
but-3-en-1-one;cobalt;dihydrofluoride has a molecular weight of 168.03 g/mol, XLogP of 0.97, 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;dihydrofluoride is sourced from PubChem (CID 87627228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).