1-chloro-1,2,2-trifluoroethene;ethenoxyethene

C6H6ClF3O — CID 22463762

IUPAC1-chloro-1,2,2-trifluoroethene;ethenoxyethene
SMILESC=COC=C.FC(F)=C(F)Cl
InChIInChI=1S/C4H6O.C2ClF3/c1-3-5-4-2;3-1(4)2(5)6/h3-4H,1-2H2;
InChIKeyDXXPIRYLBJWWQV-UHFFFAOYSA-N
MW186.56 g/mol
LogP3.55
Rot. Bonds2

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

1-chloro-1,2,2-trifluoroethene;ethenoxyethene (PubChem CID 22463762) has the molecular formula C6H6ClF3O and a molecular weight of 186.56 g/mol. Its IUPAC name is 1-chloro-1,2,2-trifluoroethene;ethenoxyethene.

Molecular Properties

Compound Name1-chloro-1,2,2-trifluoroethene;ethenoxyethene
PubChem CID22463762
Molecular FormulaC6H6ClF3O
Molecular Weight186.56 g/mol
Exact Mass186.01
IUPAC Name1-chloro-1,2,2-trifluoroethene;ethenoxyethene
SMILESC=COC=C.FC(F)=C(F)Cl
InChIInChI=1S/C4H6O.C2ClF3/c1-3-5-4-2;3-1(4)2(5)6/h3-4H,1-2H2;
InChIKeyDXXPIRYLBJWWQV-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2-trifluoroethene;ethenoxyethene?
The IUPAC name of 1-chloro-1,2,2-trifluoroethene;ethenoxyethene (CID 22463762) is 1-chloro-1,2,2-trifluoroethene;ethenoxyethene.
What is the SMILES notation for 1-chloro-1,2,2-trifluoroethene;ethenoxyethene?
The canonical SMILES for 1-chloro-1,2,2-trifluoroethene;ethenoxyethene is C=COC=C.FC(F)=C(F)Cl.
What is the InChIKey of 1-chloro-1,2,2-trifluoroethene;ethenoxyethene?
The InChIKey is DXXPIRYLBJWWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C2ClF3/c1-3-5-4-2;3-1(4)2(5)6/h3-4H,1-2H2;.
What are the key properties of 1-chloro-1,2,2-trifluoroethene;ethenoxyethene?
1-chloro-1,2,2-trifluoroethene;ethenoxyethene has a molecular weight of 186.56 g/mol, XLogP of 3.55, 2 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;ethenoxyethene is sourced from PubChem (CID 22463762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).