2,3,4-trichlorooxetane

C3H3Cl3O — CID 175014786

IUPAC2,3,4-trichlorooxetane
SMILESClC1OC(Cl)C1Cl
InChIInChI=1S/C3H3Cl3O/c4-1-2(5)7-3(1)6/h1-3H
InChIKeyGPOMVYYSZNBVFF-UHFFFAOYSA-N
MW161.42 g/mol
LogP1.75
Rot. Bonds

About 2,3,4-trichlorooxetane

2,3,4-trichlorooxetane (PubChem CID 175014786) has the molecular formula C3H3Cl3O and a molecular weight of 161.42 g/mol. Its IUPAC name is 2,3,4-trichlorooxetane.

Molecular Properties

Compound Name2,3,4-trichlorooxetane
PubChem CID175014786
Molecular FormulaC3H3Cl3O
Molecular Weight161.42 g/mol
Exact Mass159.92
IUPAC Name2,3,4-trichlorooxetane
SMILESClC1OC(Cl)C1Cl
InChIInChI=1S/C3H3Cl3O/c4-1-2(5)7-3(1)6/h1-3H
InChIKeyGPOMVYYSZNBVFF-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S)-2,3,4,5-tetrachlorooxolane
CID 130986352
2-chloro-3-methyloxirane;hydrazine
CID 157079115
2-chloro-3-methyloxirane;methanol
CID 174638567
4,5-dichloro-2-methyl-1,3-dioxolane
CID 54239715
chloro hypochlorite;2-chloro-3-methyloxirane
CID 174858426
1,2,3,4,5,6-hexachlorocyclohexane;rhenium
CID 88652983
1,2,3,4,5,6-hexachlorocyclohexane;iron
CID 87747584
(1S,2S,3S,5S,6R,7S)-1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 121493397
(2R,3S,4S,5S)-3-chloro-2,4,5-trimethyloxolane
CID 125452921
strontium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173388898
ethene;1,2,3,4,5,6-hexachlorocyclohexane
CID 22457055
sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
CID 173006029

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichlorooxetane?
The IUPAC name of 2,3,4-trichlorooxetane (CID 175014786) is 2,3,4-trichlorooxetane.
What is the SMILES notation for 2,3,4-trichlorooxetane?
The canonical SMILES for 2,3,4-trichlorooxetane is ClC1OC(Cl)C1Cl.
What is the InChIKey of 2,3,4-trichlorooxetane?
The InChIKey is GPOMVYYSZNBVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3O/c4-1-2(5)7-3(1)6/h1-3H.
What are the key properties of 2,3,4-trichlorooxetane?
2,3,4-trichlorooxetane has a molecular weight of 161.42 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichlorooxetane is sourced from PubChem (CID 175014786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).