1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane

C7H5Cl5F4O — CID 174656448

IUPAC1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane
SMILESC=COC(Cl)(Cl)C(Cl)=C(Cl)Cl.FCC(F)(F)F
InChIInChI=1S/C5H3Cl5O.C2H2F4/c1-2-11-5(9,10)3(6)4(7)8;3-1-2(4,5)6/h2H,1H2;1H2
InChIKeyLWMQKJGZFRZHJS-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.68
Rot. Bonds3

About 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane

1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane (PubChem CID 174656448) has the molecular formula C7H5Cl5F4O and a molecular weight of 358.37 g/mol. Its IUPAC name is 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane
PubChem CID174656448
Molecular FormulaC7H5Cl5F4O
Molecular Weight358.37 g/mol
Exact Mass355.87
IUPAC Name1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane
SMILESC=COC(Cl)(Cl)C(Cl)=C(Cl)Cl.FCC(F)(F)F
InChIInChI=1S/C5H3Cl5O.C2H2F4/c1-2-11-5(9,10)3(6)4(7)8;3-1-2(4,5)6/h2H,1H2;1H2
InChIKeyLWMQKJGZFRZHJS-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane?
The IUPAC name of 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane (CID 174656448) is 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane?
The canonical SMILES for 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane is C=COC(Cl)(Cl)C(Cl)=C(Cl)Cl.FCC(F)(F)F.
What is the InChIKey of 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane?
The InChIKey is LWMQKJGZFRZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl5O.C2H2F4/c1-2-11-5(9,10)3(6)4(7)8;3-1-2(4,5)6/h2H,1H2;1H2.
What are the key properties of 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane?
1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane has a molecular weight of 358.37 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentachloro-3-ethenoxyprop-1-ene;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 174656448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).