2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane

C6H9F6O3P — CID 11862329

IUPAC2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
SMILESCCO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-3-14-16(2,13)15-4(5(7,8)9)6(10,11)12/h4H,3H2,1-2H3/t16-/m1/s1
InChIKeyFQHNNRDALXBALI-MRXNPFEDSA-N
MW274.10 g/mol
LogP3.36
Rot. Bonds4

About 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane

2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane (PubChem CID 11862329) has the molecular formula C6H9F6O3P and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
PubChem CID11862329
Molecular FormulaC6H9F6O3P
Molecular Weight274.10 g/mol
Exact Mass274.02
IUPAC Name2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
SMILESCCO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6O3P/c1-3-14-16(2,13)15-4(5(7,8)9)6(10,11)12/h4H,3H2,1-2H3/t16-/m1/s1
InChIKeyFQHNNRDALXBALI-MRXNPFEDSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane 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 (2R)-2-[ethoxy(methyl)phosphoryl]oxy-3,3,3-trifluoropropanoate
CID 11864422
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane
CID 556594
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
ethyl (2S)-3,3,3-trifluoro-2-[methyl(2-methylpropoxy)phosphoryl]oxypropanoate
CID 11864406
ethyl (2S)-2-[butoxy(methyl)phosphoryl]oxy-3,3,3-trifluoropropanoate
CID 11864759
1-[fluoro(trifluoromethyl)phosphoryl]oxyethane
CID 172746809
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
ethyl 3-methylbutan-2-yl hydrogen phosphate
CID 139213198
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
2-bromo-2-diethoxyphosphoryl-2-fluoroacetonitrile
CID 134872139
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane (CID 11862329) is 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane is CCO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is FQHNNRDALXBALI-MRXNPFEDSA-N. The full InChI is InChI=1S/C6H9F6O3P/c1-3-14-16(2,13)15-4(5(7,8)9)6(10,11)12/h4H,3H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane?
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 274.10 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 11862329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).