1,1,2,2-tetrachloroethane;1,1,1-trichloropropane

C5H7Cl7 — CID 18956861

IUPAC1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.ClC(Cl)C(Cl)Cl
InChIInChI=1S/C3H5Cl3.C2H2Cl4/c1-2-3(4,5)6;3-1(4)2(5)6/h2H2,1H3;1-2H
InChIKeyMDDCFFBWXGYCEI-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.36
Rot. Bonds1

About 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane

1,1,2,2-tetrachloroethane;1,1,1-trichloropropane (PubChem CID 18956861) has the molecular formula C5H7Cl7 and a molecular weight of 315.28 g/mol. Its IUPAC name is 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane.

Molecular Properties

Compound Name1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
PubChem CID18956861
Molecular FormulaC5H7Cl7
Molecular Weight315.28 g/mol
Exact Mass311.84
IUPAC Name1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.ClC(Cl)C(Cl)Cl
InChIInChI=1S/C3H5Cl3.C2H2Cl4/c1-2-3(4,5)6;3-1(4)2(5)6/h2H2,1H3;1-2H
InChIKeyMDDCFFBWXGYCEI-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 55.36
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 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane?
The IUPAC name of 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane (CID 18956861) is 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane.
What is the SMILES notation for 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane?
The canonical SMILES for 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane is CCC(Cl)(Cl)Cl.ClC(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane?
The InChIKey is MDDCFFBWXGYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3.C2H2Cl4/c1-2-3(4,5)6;3-1(4)2(5)6/h2H2,1H3;1-2H.
What are the key properties of 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane?
1,1,2,2-tetrachloroethane;1,1,1-trichloropropane has a molecular weight of 315.28 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachloroethane;1,1,1-trichloropropane is sourced from PubChem (CID 18956861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).