1-chloro-1-[chloro(ethoxy)phosphoryl]ethane

C4H9Cl2O2P — CID 11275526

IUPAC1-chloro-1-[chloro(ethoxy)phosphoryl]ethane
SMILESCCOP(=O)(Cl)C(C)Cl
InChIInChI=1S/C4H9Cl2O2P/c1-3-8-9(6,7)4(2)5/h4H,3H2,1-2H3
InChIKeyBVWZTFNRXZTXND-UHFFFAOYSA-N
MW190.99 g/mol
LogP3.04
Rot. Bonds3

About 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane

1-chloro-1-[chloro(ethoxy)phosphoryl]ethane (PubChem CID 11275526) has the molecular formula C4H9Cl2O2P and a molecular weight of 190.99 g/mol. Its IUPAC name is 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane.

Molecular Properties

Compound Name1-chloro-1-[chloro(ethoxy)phosphoryl]ethane
PubChem CID11275526
Molecular FormulaC4H9Cl2O2P
Molecular Weight190.99 g/mol
Exact Mass189.97
IUPAC Name1-chloro-1-[chloro(ethoxy)phosphoryl]ethane
SMILESCCOP(=O)(Cl)C(C)Cl
InChIInChI=1S/C4H9Cl2O2P/c1-3-8-9(6,7)4(2)5/h4H,3H2,1-2H3
InChIKeyBVWZTFNRXZTXND-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.99
LogP ≤ 53.04
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
Phosphonic acid, P-(chloromethyl)-, diethyl ester
CID 76633
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
Tris(1-chloroethyl) phosphate
CID 3015482
Phosphonic acid, (dichloromethyl)-, diethyl ester
CID 11085347
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
Ethyl bis(chloromethyl)phosphinate
CID 518739

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane?
The IUPAC name of 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane (CID 11275526) is 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane.
What is the SMILES notation for 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane?
The canonical SMILES for 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane is CCOP(=O)(Cl)C(C)Cl.
What is the InChIKey of 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane?
The InChIKey is BVWZTFNRXZTXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2O2P/c1-3-8-9(6,7)4(2)5/h4H,3H2,1-2H3.
What are the key properties of 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane?
1-chloro-1-[chloro(ethoxy)phosphoryl]ethane has a molecular weight of 190.99 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[chloro(ethoxy)phosphoryl]ethane is sourced from PubChem (CID 11275526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).