1,1-dichloroethene;ethane

C4H8Cl2 — CID 163745856

IUPAC1,1-dichloroethene;ethane
SMILESC=C(Cl)Cl.CC
InChIInChI=1S/C2H2Cl2.C2H6/c1-2(3)4;1-2/h1H2;1-2H3
InChIKeyLLUKJINNBGWRFX-UHFFFAOYSA-N
MW127.01 g/mol
LogP2.96
Rot. Bonds

About 1,1-dichloroethene;ethane

1,1-dichloroethene;ethane (PubChem CID 163745856) has the molecular formula C4H8Cl2 and a molecular weight of 127.01 g/mol. Its IUPAC name is 1,1-dichloroethene;ethane.

Molecular Properties

Compound Name1,1-dichloroethene;ethane
PubChem CID163745856
Molecular FormulaC4H8Cl2
Molecular Weight127.01 g/mol
Exact Mass126.00
IUPAC Name1,1-dichloroethene;ethane
SMILESC=C(Cl)Cl.CC
InChIInChI=1S/C2H2Cl2.C2H6/c1-2(3)4;1-2/h1H2;1-2H3
InChIKeyLLUKJINNBGWRFX-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.01
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethene;ethane?
The IUPAC name of 1,1-dichloroethene;ethane (CID 163745856) is 1,1-dichloroethene;ethane.
What is the SMILES notation for 1,1-dichloroethene;ethane?
The canonical SMILES for 1,1-dichloroethene;ethane is C=C(Cl)Cl.CC.
What is the InChIKey of 1,1-dichloroethene;ethane?
The InChIKey is LLUKJINNBGWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2.C2H6/c1-2(3)4;1-2/h1H2;1-2H3.
What are the key properties of 1,1-dichloroethene;ethane?
1,1-dichloroethene;ethane has a molecular weight of 127.01 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethene;ethane is sourced from PubChem (CID 163745856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).