1-[chloro(fluoro)phosphoryl]oxyethane

C2H5ClFO2P — CID 23416048

IUPAC1-[chloro(fluoro)phosphoryl]oxyethane
SMILESCCOP(=O)(F)Cl
InChIInChI=1S/C2H5ClFO2P/c1-2-6-7(3,4)5/h2H2,1H3
InChIKeyGKMSNBMXTVUSFQ-UHFFFAOYSA-N
MW146.48 g/mol
LogP2.34
Rot. Bonds2

About 1-[chloro(fluoro)phosphoryl]oxyethane

1-[chloro(fluoro)phosphoryl]oxyethane (PubChem CID 23416048) has the molecular formula C2H5ClFO2P and a molecular weight of 146.48 g/mol. Its IUPAC name is 1-[chloro(fluoro)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[chloro(fluoro)phosphoryl]oxyethane
PubChem CID23416048
Molecular FormulaC2H5ClFO2P
Molecular Weight146.48 g/mol
Exact Mass145.97
IUPAC Name1-[chloro(fluoro)phosphoryl]oxyethane
SMILESCCOP(=O)(F)Cl
InChIInChI=1S/C2H5ClFO2P/c1-2-6-7(3,4)5/h2H2,1H3
InChIKeyGKMSNBMXTVUSFQ-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[chloro(fluoro)phosphoryl]oxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl dichlorophosphate
CID 15158
Phosphorodifluoridic acid, ethyl ester
CID 120250
Diethyl fluorophosphate
CID 67752
Ethyl methyl phosphorofluoridate
CID 120240
Ethyl methylphosphonofluoridate
CID 160541
Potassium ethyl monofluorophosphate
CID 6335922
Ethylhydrogenphosphorofluoridate
CID 120218
Phosphoethanol
CID 6857927
n-Propoxydifluorophosphine oxide
CID 23443859
O-methyl methylchloro-phosphonate
CID 14957583
(Phosphorosooxy)ethane
CID 11126182
Ethyl methyl chlorophosphonate
CID 12705480

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(fluoro)phosphoryl]oxyethane?
The IUPAC name of 1-[chloro(fluoro)phosphoryl]oxyethane (CID 23416048) is 1-[chloro(fluoro)phosphoryl]oxyethane.
What is the SMILES notation for 1-[chloro(fluoro)phosphoryl]oxyethane?
The canonical SMILES for 1-[chloro(fluoro)phosphoryl]oxyethane is CCOP(=O)(F)Cl.
What is the InChIKey of 1-[chloro(fluoro)phosphoryl]oxyethane?
The InChIKey is GKMSNBMXTVUSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClFO2P/c1-2-6-7(3,4)5/h2H2,1H3.
What are the key properties of 1-[chloro(fluoro)phosphoryl]oxyethane?
1-[chloro(fluoro)phosphoryl]oxyethane has a molecular weight of 146.48 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(fluoro)phosphoryl]oxyethane is sourced from PubChem (CID 23416048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).