1-[chloro(ethyl)phosphoryl]oxyethane

C4H10ClO2P — CID 2784236

IUPAC1-[chloro(ethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(Cl)CC
InChIInChI=1S/C4H10ClO2P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
InChIKeyDWTBFLKIGXHENV-UHFFFAOYSA-N
MW156.55 g/mol
LogP2.47
Rot. Bonds3

About 1-[chloro(ethyl)phosphoryl]oxyethane

1-[chloro(ethyl)phosphoryl]oxyethane (PubChem CID 2784236) has the molecular formula C4H10ClO2P and a molecular weight of 156.55 g/mol. Its IUPAC name is 1-[chloro(ethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloro(ethyl)phosphoryl]oxyethane
PubChem CID2784236
Molecular FormulaC4H10ClO2P
Molecular Weight156.55 g/mol
Exact Mass156.01
IUPAC Name1-[chloro(ethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(Cl)CC
InChIInChI=1S/C4H10ClO2P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
InChIKeyDWTBFLKIGXHENV-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.55
LogP ≤ 52.47
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
Diethyl ethylphosphonate
CID 6534
Diethyl methylphosphonate
CID 12685
Diethyl (2-chloroethyl)phosphonate
CID 25250
Phosphonic acid, P-(chloromethyl)-, diethyl ester
CID 76633
Ethyl methyl ethylphosphonate
CID 79183
Ethyl methylphosphinate
CID 6328184
Diethyl propylphosphonate
CID 140428
Dimethyl ethylphosphonate
CID 521983
Diethyl (propan-2-yl)phosphonate
CID 586633
Diethyl ethylphosphonite
CID 1520881

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(ethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[chloro(ethyl)phosphoryl]oxyethane (CID 2784236) is 1-[chloro(ethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloro(ethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloro(ethyl)phosphoryl]oxyethane is CCOP(=O)(Cl)CC.
What is the InChIKey of 1-[chloro(ethyl)phosphoryl]oxyethane?
The InChIKey is DWTBFLKIGXHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO2P/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3.
What are the key properties of 1-[chloro(ethyl)phosphoryl]oxyethane?
1-[chloro(ethyl)phosphoryl]oxyethane has a molecular weight of 156.55 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(ethyl)phosphoryl]oxyethane is sourced from PubChem (CID 2784236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).