1,1,2-trichloroethene;1,2-xylene

C10H11Cl3 — CID 87895768

IUPAC1,1,2-trichloroethene;1,2-xylene
SMILESCc1ccccc1C.ClC=C(Cl)Cl
InChIInChI=1S/C8H10.C2HCl3/c1-7-5-3-4-6-8(7)2;3-1-2(4)5/h3-6H,1-2H3;1H
InChIKeyQWXDWYIYOSPPHJ-UHFFFAOYSA-N
MW237.56 g/mol
LogP4.81
Rot. Bonds

About 1,1,2-trichloroethene;1,2-xylene

1,1,2-trichloroethene;1,2-xylene (PubChem CID 87895768) has the molecular formula C10H11Cl3 and a molecular weight of 237.56 g/mol. Its IUPAC name is 1,1,2-trichloroethene;1,2-xylene.

Molecular Properties

Compound Name1,1,2-trichloroethene;1,2-xylene
PubChem CID87895768
Molecular FormulaC10H11Cl3
Molecular Weight237.56 g/mol
Exact Mass235.99
IUPAC Name1,1,2-trichloroethene;1,2-xylene
SMILESCc1ccccc1C.ClC=C(Cl)Cl
InChIInChI=1S/C8H10.C2HCl3/c1-7-5-3-4-6-8(7)2;3-1-2(4)5/h3-6H,1-2H3;1H
InChIKeyQWXDWYIYOSPPHJ-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloroethene;1,2-xylene?
The IUPAC name of 1,1,2-trichloroethene;1,2-xylene (CID 87895768) is 1,1,2-trichloroethene;1,2-xylene.
What is the SMILES notation for 1,1,2-trichloroethene;1,2-xylene?
The canonical SMILES for 1,1,2-trichloroethene;1,2-xylene is Cc1ccccc1C.ClC=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloroethene;1,2-xylene?
The InChIKey is QWXDWYIYOSPPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2HCl3/c1-7-5-3-4-6-8(7)2;3-1-2(4)5/h3-6H,1-2H3;1H.
What are the key properties of 1,1,2-trichloroethene;1,2-xylene?
1,1,2-trichloroethene;1,2-xylene has a molecular weight of 237.56 g/mol, XLogP of 4.81, 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;1,2-xylene is sourced from PubChem (CID 87895768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).