1,1,2-trichloroethene;1,1,1-trichloropropane

C5H6Cl6 — CID 19861673

IUPAC1,1,2-trichloroethene;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.ClC=C(Cl)Cl
InChIInChI=1S/C3H5Cl3.C2HCl3/c1-2-3(4,5)6;3-1-2(4)5/h2H2,1H3;1H
InChIKeyPNTFJQIOLRGCQX-UHFFFAOYSA-N
MW278.82 g/mol
LogP5.27
Rot. Bonds

About 1,1,2-trichloroethene;1,1,1-trichloropropane

1,1,2-trichloroethene;1,1,1-trichloropropane (PubChem CID 19861673) has the molecular formula C5H6Cl6 and a molecular weight of 278.82 g/mol. Its IUPAC name is 1,1,2-trichloroethene;1,1,1-trichloropropane.

Molecular Properties

Compound Name1,1,2-trichloroethene;1,1,1-trichloropropane
PubChem CID19861673
Molecular FormulaC5H6Cl6
Molecular Weight278.82 g/mol
Exact Mass275.86
IUPAC Name1,1,2-trichloroethene;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.ClC=C(Cl)Cl
InChIInChI=1S/C3H5Cl3.C2HCl3/c1-2-3(4,5)6;3-1-2(4)5/h2H2,1H3;1H
InChIKeyPNTFJQIOLRGCQX-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.82
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloroethene;1,1,1-trichloropropane?
The IUPAC name of 1,1,2-trichloroethene;1,1,1-trichloropropane (CID 19861673) is 1,1,2-trichloroethene;1,1,1-trichloropropane.
What is the SMILES notation for 1,1,2-trichloroethene;1,1,1-trichloropropane?
The canonical SMILES for 1,1,2-trichloroethene;1,1,1-trichloropropane is CCC(Cl)(Cl)Cl.ClC=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloroethene;1,1,1-trichloropropane?
The InChIKey is PNTFJQIOLRGCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3.C2HCl3/c1-2-3(4,5)6;3-1-2(4)5/h2H2,1H3;1H.
What are the key properties of 1,1,2-trichloroethene;1,1,1-trichloropropane?
1,1,2-trichloroethene;1,1,1-trichloropropane has a molecular weight of 278.82 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloroethene;1,1,1-trichloropropane is sourced from PubChem (CID 19861673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).