Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018148

Phytochemical name: Ethane, 1,1,2,2-tetrachloro-

Synonymous chemical names:
Ethane, 1,1,2,2-tetrachloro-

External chemical identifiers:
ChEMBL:CHEMBL47258, ChEBI:CHEBI:36026, ZINC:ZINC000008585904, FDASRS:1L6BI049XV, SureChEMBL:SCHEMBL2564, Molport-003-925-231

---

Chemical structure information

SMILES:
ClC(C(Cl)Cl)Cl

InChI:
InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H

InChIKey:
QPFMBZIOSGYJDE-UHFFFAOYSA-N

DeepSMILES:
ClCCCl)Cl))Cl

Functional groups:
CCl

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP004908, MSBNK-Fac_Eng_Univ_Tokyo-JP000956

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organochlorides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Halogenated hydrocarbons

NP-Likeness score: 0.134

---

Chemical structure download