1-chloro-1,2,2-trifluoroethene;ethenone

C4H2ClF3O — CID 159920563

IUPAC1-chloro-1,2,2-trifluoroethene;ethenone
SMILESC=C=O.FC(F)=C(F)Cl
InChIInChI=1S/C2ClF3.C2H2O/c3-1(4)2(5)6;1-2-3/h;1H2
InChIKeyNYIODTPKSUXRSH-UHFFFAOYSA-N
MW158.51 g/mol
LogP2.26
Rot. Bonds

About 1-chloro-1,2,2-trifluoroethene;ethenone

1-chloro-1,2,2-trifluoroethene;ethenone (PubChem CID 159920563) has the molecular formula C4H2ClF3O and a molecular weight of 158.51 g/mol. Its IUPAC name is 1-chloro-1,2,2-trifluoroethene;ethenone.

Molecular Properties

Compound Name1-chloro-1,2,2-trifluoroethene;ethenone
PubChem CID159920563
Molecular FormulaC4H2ClF3O
Molecular Weight158.51 g/mol
Exact Mass157.97
IUPAC Name1-chloro-1,2,2-trifluoroethene;ethenone
SMILESC=C=O.FC(F)=C(F)Cl
InChIInChI=1S/C2ClF3.C2H2O/c3-1(4)2(5)6;1-2-3/h;1H2
InChIKeyNYIODTPKSUXRSH-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,2,2-trifluoroethene
CID 141146844
1-chloro-1,2,2-trifluoroethene;1,2-dichloro-1,2-difluoroethene
CID 157281148
1-chloro-1,2,2-trifluoroethene;silane
CID 159523303
(Z)-1,2-dichloro-1,2-difluoroethene
CID 2736814
dihydroxy(oxo)phosphanium;ethenone
CID 174479647
ethenone;2,2,2-trifluoroacetic acid
CID 158998620
ethenone;thiourea
CID 88518742
acetic acid;ethenone
CID 174780267
hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
carbonyl dichloride;methanimine;dihydrochloride
CID 173345491
1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)
CID 173372784
1-fluoro-1-iodopropa-1,2-diene
CID 174509276

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2-trifluoroethene;ethenone?
The IUPAC name of 1-chloro-1,2,2-trifluoroethene;ethenone (CID 159920563) is 1-chloro-1,2,2-trifluoroethene;ethenone.
What is the SMILES notation for 1-chloro-1,2,2-trifluoroethene;ethenone?
The canonical SMILES for 1-chloro-1,2,2-trifluoroethene;ethenone is C=C=O.FC(F)=C(F)Cl.
What is the InChIKey of 1-chloro-1,2,2-trifluoroethene;ethenone?
The InChIKey is NYIODTPKSUXRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF3.C2H2O/c3-1(4)2(5)6;1-2-3/h;1H2.
What are the key properties of 1-chloro-1,2,2-trifluoroethene;ethenone?
1-chloro-1,2,2-trifluoroethene;ethenone has a molecular weight of 158.51 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2-trifluoroethene;ethenone is sourced from PubChem (CID 159920563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).