1,1,2-trichloroethanol

C2H3Cl3O — CID 14671512

IUPAC1,1,2-trichloroethanol
SMILESOC(Cl)(Cl)CCl
InChIInChI=1S/C2H3Cl3O/c3-1-2(4,5)6/h6H,1H2
InChIKeyHYCHPIPDVAXCCJ-UHFFFAOYSA-N
MW149.40 g/mol
LogP1.35
Rot. Bonds1

About 1,1,2-trichloroethanol

1,1,2-trichloroethanol (PubChem CID 14671512) has the molecular formula C2H3Cl3O and a molecular weight of 149.40 g/mol. Its IUPAC name is 1,1,2-trichloroethanol.

Molecular Properties

Compound Name1,1,2-trichloroethanol
PubChem CID14671512
Molecular FormulaC2H3Cl3O
Molecular Weight149.40 g/mol
Exact Mass147.92
IUPAC Name1,1,2-trichloroethanol
SMILESOC(Cl)(Cl)CCl
InChIInChI=1S/C2H3Cl3O/c3-1-2(4,5)6/h6H,1H2
InChIKeyHYCHPIPDVAXCCJ-UHFFFAOYSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trichloroethanol
CID 176909401
1,1,1,2-tetrachloroethane
CID 12418
1,2,2,3-tetrachloropropane-1,1-diol
CID 168876220
1,1-dichloroethane-1,2-diol
CID 18924118
1,3-dichloro-2-methylbutane-2,3-diol
CID 130737307
1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
2,2,2-trichloroethanol
CID 8259
propan-2-one;1,1,1,2-tetrachloroethane
CID 19428789
benzene;1,1,1,2-tetrachloroethane
CID 163643099
azane;2,2,2-trichloroethanol
CID 87325391
dichloromethane;2-methylpropan-2-ol
CID 18914702
1,2-dichloro-1-ethoxyethanol
CID 141026813

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloroethanol?
The IUPAC name of 1,1,2-trichloroethanol (CID 14671512) is 1,1,2-trichloroethanol.
What is the SMILES notation for 1,1,2-trichloroethanol?
The canonical SMILES for 1,1,2-trichloroethanol is OC(Cl)(Cl)CCl.
What is the InChIKey of 1,1,2-trichloroethanol?
The InChIKey is HYCHPIPDVAXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O/c3-1-2(4,5)6/h6H,1H2.
What are the key properties of 1,1,2-trichloroethanol?
1,1,2-trichloroethanol has a molecular weight of 149.40 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloroethanol is sourced from PubChem (CID 14671512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).