2-chloro-1,3-dioxetane

C2H3ClO2 — CID 57084930

IUPAC2-chloro-1,3-dioxetane
SMILESClC1OCO1
InChIInChI=1S/C2H3ClO2/c3-2-4-1-5-2/h2H,1H2
InChIKeyMDVQGXKBTUKEIP-UHFFFAOYSA-N
MW94.50 g/mol
LogP0.51
Rot. Bonds

About 2-chloro-1,3-dioxetane

2-chloro-1,3-dioxetane (PubChem CID 57084930) has the molecular formula C2H3ClO2 and a molecular weight of 94.50 g/mol. Its IUPAC name is 2-chloro-1,3-dioxetane.

Molecular Properties

Compound Name2-chloro-1,3-dioxetane
PubChem CID57084930
Molecular FormulaC2H3ClO2
Molecular Weight94.50 g/mol
Exact Mass93.98
IUPAC Name2-chloro-1,3-dioxetane
SMILESClC1OCO1
InChIInChI=1S/C2H3ClO2/c3-2-4-1-5-2/h2H,1H2
InChIKeyMDVQGXKBTUKEIP-UHFFFAOYSA-N
XLogP0.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.50
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4,5-bis(chloromethyl)-1,3-dioxolane
CID 130950632
(4R,5S)-4,5-dimethyl-1,3-dioxolane
CID 13085378
(4R)-4,8-diethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 58960567
4,5-diethyl-1,3-dioxolane;2,3-diethyloxirane
CID 142047920
[(4R,5R)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
CID 10441741
(4S,5S)-4,5-di(propan-2-yl)-1,3-dioxolane
CID 23266361
3a,6a-dihydro-[1,3]dithiolo[4,5-d][1,3]dioxole
CID 88693550
2-hydroperoxy-1,3-dioxetane
CID 175323429
2,4-dichlorooxolane
CID 89404840
3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diamine
CID 121419738
2,3-dichlorooxolane
CID 19025
1-(5-ethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
CID 129125937

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dioxetane?
The IUPAC name of 2-chloro-1,3-dioxetane (CID 57084930) is 2-chloro-1,3-dioxetane.
What is the SMILES notation for 2-chloro-1,3-dioxetane?
The canonical SMILES for 2-chloro-1,3-dioxetane is ClC1OCO1.
What is the InChIKey of 2-chloro-1,3-dioxetane?
The InChIKey is MDVQGXKBTUKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2/c3-2-4-1-5-2/h2H,1H2.
What are the key properties of 2-chloro-1,3-dioxetane?
2-chloro-1,3-dioxetane has a molecular weight of 94.50 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dioxetane is sourced from PubChem (CID 57084930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).