(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane

C5H5Cl2F5 — CID 90282303

IUPAC(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
SMILESCl/C=C/Cl.FC(F)CC(F)(F)F
InChIInChI=1S/C3H3F5.C2H2Cl2/c4-2(5)1-3(6,7)8;3-1-2-4/h2H,1H2;1-2H/b;2-1+
InChIKeyXXKHYPGMCWSWHV-WLHGVMLRSA-N
MW230.99 g/mol
LogP4.14
Rot. Bonds1

About (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane

(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane (PubChem CID 90282303) has the molecular formula C5H5Cl2F5 and a molecular weight of 230.99 g/mol. Its IUPAC name is (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane.

Molecular Properties

Compound Name(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
PubChem CID90282303
Molecular FormulaC5H5Cl2F5
Molecular Weight230.99 g/mol
Exact Mass229.97
IUPAC Name(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane
SMILESCl/C=C/Cl.FC(F)CC(F)(F)F
InChIInChI=1S/C3H3F5.C2H2Cl2/c4-2(5)1-3(6,7)8;3-1-2-4/h2H,1H2;1-2H/b;2-1+
InChIKeyXXKHYPGMCWSWHV-WLHGVMLRSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.99
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane?
The IUPAC name of (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane (CID 90282303) is (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane.
What is the SMILES notation for (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane?
The canonical SMILES for (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane is Cl/C=C/Cl.FC(F)CC(F)(F)F.
What is the InChIKey of (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane?
The InChIKey is XXKHYPGMCWSWHV-WLHGVMLRSA-N. The full InChI is InChI=1S/C3H3F5.C2H2Cl2/c4-2(5)1-3(6,7)8;3-1-2-4/h2H,1H2;1-2H/b;2-1+.
What are the key properties of (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane?
(E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane has a molecular weight of 230.99 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dichloroethene;1,1,1,3,3-pentafluoropropane is sourced from PubChem (CID 90282303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).