1-[chloro(methyl)phosphoryl]oxyethane

C3H8ClO2P — CID 575401

IUPAC1-[chloro(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)Cl
InChIInChI=1S/C3H8ClO2P/c1-3-6-7(2,4)5/h3H2,1-2H3
InChIKeyRTLLQQBEJNHPCH-UHFFFAOYSA-N
MW142.52 g/mol
LogP2.08
Rot. Bonds2

About 1-[chloro(methyl)phosphoryl]oxyethane

1-[chloro(methyl)phosphoryl]oxyethane (PubChem CID 575401) has the molecular formula C3H8ClO2P and a molecular weight of 142.52 g/mol. Its IUPAC name is 1-[chloro(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloro(methyl)phosphoryl]oxyethane
PubChem CID575401
Molecular FormulaC3H8ClO2P
Molecular Weight142.52 g/mol
Exact Mass142.00
IUPAC Name1-[chloro(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)Cl
InChIInChI=1S/C3H8ClO2P/c1-3-6-7(2,4)5/h3H2,1-2H3
InChIKeyRTLLQQBEJNHPCH-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.52
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Ethyl dichlorophosphate
CID 15158
Ethyl methylphosphonate
CID 449085
Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Phosphonic acid, P-(chloromethyl)-, diethyl ester
CID 76633
Ethyl methyl ethylphosphonate
CID 79183
Ethyl methylphosphinate
CID 6328184
Ethyl methylphosphonofluoridate
CID 160541
Ethyl methyl methylphosphonate
CID 519597
Dipropyl chlorophosphate
CID 137622

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-[chloro(methyl)phosphoryl]oxyethane (CID 575401) is 1-[chloro(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloro(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloro(methyl)phosphoryl]oxyethane is CCOP(C)(=O)Cl.
What is the InChIKey of 1-[chloro(methyl)phosphoryl]oxyethane?
The InChIKey is RTLLQQBEJNHPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO2P/c1-3-6-7(2,4)5/h3H2,1-2H3.
What are the key properties of 1-[chloro(methyl)phosphoryl]oxyethane?
1-[chloro(methyl)phosphoryl]oxyethane has a molecular weight of 142.52 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 575401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).