1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane

C6H13Cl2O2P — CID 2784379

IUPAC1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane
SMILESCCP(=O)(CCCl)OCCCl
InChIInChI=1S/C6H13Cl2O2P/c1-2-11(9,6-4-8)10-5-3-7/h2-6H2,1H3
InChIKeyBVUGZDGMPGCALN-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.78
Rot. Bonds6

About 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane

1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane (PubChem CID 2784379) has the molecular formula C6H13Cl2O2P and a molecular weight of 219.05 g/mol. Its IUPAC name is 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane
PubChem CID2784379
Molecular FormulaC6H13Cl2O2P
Molecular Weight219.05 g/mol
Exact Mass218.00
IUPAC Name1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane
SMILESCCP(=O)(CCCl)OCCCl
InChIInChI=1S/C6H13Cl2O2P/c1-2-11(9,6-4-8)10-5-3-7/h2-6H2,1H3
InChIKeyBVUGZDGMPGCALN-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
CID 80518
Diethyl (2-chloroethyl)phosphonate
CID 25250
Bis(2-chloroethyl) phosphite
CID 6336390
Bis(2-chloroethyl) methylphosphonate
CID 5018110
Phosphonic acid, (2-chloroethyl)-, monoethyl ester
CID 211662
(2-Chloroethoxy)(2-chloroethyl)phosphinic acid
CID 12800883
Bis(2-chloroethyl) chlorophosphate
CID 80182
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
Ethyl bis(chloromethyl)phosphinate
CID 518739
Diethyl P-(1-chloroethyl)phosphonate
CID 11830457
Methyl(vinyl)phosphinic acid 2-chloroethylester
CID 14512990
1-Chloro-2-dimethylphosphoryloxyethane
CID 22748658

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane (CID 2784379) is 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane is CCP(=O)(CCCl)OCCCl.
What is the InChIKey of 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane?
The InChIKey is BVUGZDGMPGCALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2O2P/c1-2-11(9,6-4-8)10-5-3-7/h2-6H2,1H3.
What are the key properties of 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane?
1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane has a molecular weight of 219.05 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane is sourced from PubChem (CID 2784379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).