ethenone;1,1,1-trichloro-2,2-difluoroethane

C4H3Cl3F2O — CID 157382263

IUPACethenone;1,1,1-trichloro-2,2-difluoroethane
SMILESC=C=O.FC(F)C(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3F2.C2H2O/c3-2(4,5)1(6)7;1-2-3/h1H;1H2
InChIKeyBLACQPGRUUOGFW-UHFFFAOYSA-N
MW211.42 g/mol
LogP2.63
Rot. Bonds

About ethenone;1,1,1-trichloro-2,2-difluoroethane

ethenone;1,1,1-trichloro-2,2-difluoroethane (PubChem CID 157382263) has the molecular formula C4H3Cl3F2O and a molecular weight of 211.42 g/mol. Its IUPAC name is ethenone;1,1,1-trichloro-2,2-difluoroethane.

Molecular Properties

Compound Nameethenone;1,1,1-trichloro-2,2-difluoroethane
PubChem CID157382263
Molecular FormulaC4H3Cl3F2O
Molecular Weight211.42 g/mol
Exact Mass209.92
IUPAC Nameethenone;1,1,1-trichloro-2,2-difluoroethane
SMILESC=C=O.FC(F)C(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3F2.C2H2O/c3-2(4,5)1(6)7;1-2-3/h1H;1H2
InChIKeyBLACQPGRUUOGFW-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenone;1,1,1-trichloro-2,2-difluoroethane?
The IUPAC name of ethenone;1,1,1-trichloro-2,2-difluoroethane (CID 157382263) is ethenone;1,1,1-trichloro-2,2-difluoroethane.
What is the SMILES notation for ethenone;1,1,1-trichloro-2,2-difluoroethane?
The canonical SMILES for ethenone;1,1,1-trichloro-2,2-difluoroethane is C=C=O.FC(F)C(Cl)(Cl)Cl.
What is the InChIKey of ethenone;1,1,1-trichloro-2,2-difluoroethane?
The InChIKey is BLACQPGRUUOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3F2.C2H2O/c3-2(4,5)1(6)7;1-2-3/h1H;1H2.
What are the key properties of ethenone;1,1,1-trichloro-2,2-difluoroethane?
ethenone;1,1,1-trichloro-2,2-difluoroethane has a molecular weight of 211.42 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenone;1,1,1-trichloro-2,2-difluoroethane is sourced from PubChem (CID 157382263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).