CID 57367224

C5H3F3MnO2 — CID 57367224

IUPAC—
SMILESC=C(C=O)C(F)(F)F.[C]=O.[Mn]
InChIInChI=1S/C4H3F3O.CO.Mn/c1-3(2-8)4(5,6)7;1-2;/h2H,1H2;;
InChIKeyBGQLFWLUJULROW-UHFFFAOYSA-N
MW207.01 g/mol
LogP0.90
Rot. Bonds1

About CID 57367224

CID 57367224 (PubChem CID 57367224) has the molecular formula C5H3F3MnO2 and a molecular weight of 207.01 g/mol.

Molecular Properties

Compound NameCID 57367224
PubChem CID57367224
Molecular FormulaC5H3F3MnO2
Molecular Weight207.01 g/mol
Exact Mass206.95
IUPAC Name—
SMILESC=C(C=O)C(F)(F)F.[C]=O.[Mn]
InChIInChI=1S/C4H3F3O.CO.Mn/c1-3(2-8)4(5,6)7;1-2;/h2H,1H2;;
InChIKeyBGQLFWLUJULROW-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.01
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Oxo-2-(trifluoromethyl)prop-2-enal
CID 134874727
Manganese, tetracarbonyl(3,3,3-trifluoro-2-formyl-1-propenyl-C,O)-, (OC-6-23)-
CID 533496
2-(Trifluoromethyl)prop-2-enal
CID 6328846
Methoxymethane;2-(trifluoromethyl)prop-2-enal
CID 145326277
2-(Fluoromethylidene)propanedial
CID 174747416
Carbon monoxide;manganese;2-(trifluoromethyl)prop-2-enal
CID 50897504
(Z)-3-hydroxy-2-(trifluoromethyl)prop-2-enal
CID 177469644

Frequently Asked Questions

What is the IUPAC name of CID 57367224?
The IUPAC name of CID 57367224 (CID 57367224) is not available.
What is the SMILES notation for CID 57367224?
The canonical SMILES for CID 57367224 is C=C(C=O)C(F)(F)F.[C]=O.[Mn].
What is the InChIKey of CID 57367224?
The InChIKey is BGQLFWLUJULROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O.CO.Mn/c1-3(2-8)4(5,6)7;1-2;/h2H,1H2;;.
What are the key properties of CID 57367224?
CID 57367224 has a molecular weight of 207.01 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57367224 is sourced from PubChem (CID 57367224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).