1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane

C6H13ClFO4P — CID 23262912

IUPAC1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane
SMILESCOCP(=O)(OCCF)OCCCl
InChIInChI=1S/C6H13ClFO4P/c1-10-6-13(9,11-4-2-7)12-5-3-8/h2-6H2,1H3
InChIKeyGDVALQVYACCTDF-UHFFFAOYSA-N
MW234.59 g/mol
LogP2.02
Rot. Bonds8

About 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane

1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane (PubChem CID 23262912) has the molecular formula C6H13ClFO4P and a molecular weight of 234.59 g/mol. Its IUPAC name is 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane.

Molecular Properties

Compound Name1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane
PubChem CID23262912
Molecular FormulaC6H13ClFO4P
Molecular Weight234.59 g/mol
Exact Mass234.02
IUPAC Name1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane
SMILESCOCP(=O)(OCCF)OCCCl
InChIInChI=1S/C6H13ClFO4P/c1-10-6-13(9,11-4-2-7)12-5-3-8/h2-6H2,1H3
InChIKeyGDVALQVYACCTDF-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.59
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloroethoxy)methyl)phosphonate
CID 10014096
Phosphoric acid, 2-chloroethyl diethyl ester
CID 12504207
Phosphoric acid, 2-chloroethyl dimethyl ester
CID 10976259
[(2-Chloroethoxy)methyl]phosphonic acid bis(2,2,2-trifluoroethyl) ester
CID 10246542
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
(2-Chloro-1-fluoroethyl) ethyl hydrogen phosphate
CID 20498247
1-[(2-Chloro-1-fluoroethoxy)-methoxyphosphoryl]butane
CID 53700807
2-Chloro-1-[ethoxy(ethyl)phosphoryl]oxy-1,1-difluoroethane
CID 53829647
2-Chloroethyl 2-chloro-1-fluoroethyl methylphosphonate
CID 53922900

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane?
The IUPAC name of 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane (CID 23262912) is 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane.
What is the SMILES notation for 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane?
The canonical SMILES for 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane is COCP(=O)(OCCF)OCCCl.
What is the InChIKey of 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane?
The InChIKey is GDVALQVYACCTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClFO4P/c1-10-6-13(9,11-4-2-7)12-5-3-8/h2-6H2,1H3.
What are the key properties of 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane?
1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane has a molecular weight of 234.59 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloroethoxy(methoxymethyl)phosphoryl]oxy-2-fluoroethane is sourced from PubChem (CID 23262912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).