1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane

C7H15ClFO3P — CID 54477782

IUPAC1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane
SMILESCCCP(=O)(OCC)OC(F)CCl
InChIInChI=1S/C7H15ClFO3P/c1-3-5-13(10,11-4-2)12-7(9)6-8/h7H,3-6H2,1-2H3
InChIKeyXMULUUKCXAZISA-UHFFFAOYSA-N
MW232.62 g/mol
LogP3.18
Rot. Bonds7

About 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane

1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane (PubChem CID 54477782) has the molecular formula C7H15ClFO3P and a molecular weight of 232.62 g/mol. Its IUPAC name is 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane.

Molecular Properties

Compound Name1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane
PubChem CID54477782
Molecular FormulaC7H15ClFO3P
Molecular Weight232.62 g/mol
Exact Mass232.04
IUPAC Name1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane
SMILESCCCP(=O)(OCC)OC(F)CCl
InChIInChI=1S/C7H15ClFO3P/c1-3-5-13(10,11-4-2)12-7(9)6-8/h7H,3-6H2,1-2H3
InChIKeyXMULUUKCXAZISA-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (2-chloroethyl)phosphonate
CID 25250
Diethyl P-(1-chloroethyl)phosphonate
CID 11830457
1-Chloro-2-diethoxyphosphoryl-1,2-difluoroethane
CID 178250811
Ethyl 1-(2-chloroethyl)-methylphosphinate
CID 86691708
3-Chloro-1-diethoxyphosphoryl-1,1-difluoropropane
CID 10354761
4-Chloro-1-diethoxyphosphoryl-1-fluorobutane
CID 10752983
2-Chloro-1-fluoroethyl methyl methylphosphonate
CID 20316615
2-Chloro-1-[ethoxy(methyl)phosphoryl]oxy-1-fluoroethane
CID 20316617
2-Chloro-1-fluoroethyl ethyl ethylphosphonate
CID 20316620
(2-Chloro-1-fluoroethoxy)-ethylphosphinic acid
CID 20393804
1-[(2-Chloro-1-fluoroethoxy)-methoxyphosphoryl]butane
CID 53700807
2-Chloro-1-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxy-1-fluoroethane
CID 53773719

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane?
The IUPAC name of 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane (CID 54477782) is 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane.
What is the SMILES notation for 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane?
The canonical SMILES for 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane is CCCP(=O)(OCC)OC(F)CCl.
What is the InChIKey of 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane?
The InChIKey is XMULUUKCXAZISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClFO3P/c1-3-5-13(10,11-4-2)12-7(9)6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane?
1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane has a molecular weight of 232.62 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1-fluoroethoxy)-ethoxyphosphoryl]propane is sourced from PubChem (CID 54477782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).