chloroethene;hydrate

C4H8Cl2O — CID 21299017

IUPACchloroethene;hydrate
SMILESC=CCl.C=CCl.O
InChIInChI=1S/2C2H3Cl.H2O/c2*1-2-3;/h2*2H,1H2;1H2
InChIKeyLGZAQPNSXRZGBL-UHFFFAOYSA-N
MW143.01 g/mol
LogP1.91
Rot. Bonds

About chloroethene;hydrate

chloroethene;hydrate (PubChem CID 21299017) has the molecular formula C4H8Cl2O and a molecular weight of 143.01 g/mol. Its IUPAC name is chloroethene;hydrate.

Molecular Properties

Compound Namechloroethene;hydrate
PubChem CID21299017
Molecular FormulaC4H8Cl2O
Molecular Weight143.01 g/mol
Exact Mass142.00
IUPAC Namechloroethene;hydrate
SMILESC=CCl.C=CCl.O
InChIInChI=1S/2C2H3Cl.H2O/c2*1-2-3;/h2*2H,1H2;1H2
InChIKeyLGZAQPNSXRZGBL-UHFFFAOYSA-N
XLogP1.91
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.01
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloroethene;hydrate?
The IUPAC name of chloroethene;hydrate (CID 21299017) is chloroethene;hydrate.
What is the SMILES notation for chloroethene;hydrate?
The canonical SMILES for chloroethene;hydrate is C=CCl.C=CCl.O.
What is the InChIKey of chloroethene;hydrate?
The InChIKey is LGZAQPNSXRZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3Cl.H2O/c2*1-2-3;/h2*2H,1H2;1H2.
What are the key properties of chloroethene;hydrate?
chloroethene;hydrate has a molecular weight of 143.01 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;hydrate is sourced from PubChem (CID 21299017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).