2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane

C5H10F3O2P — CID 12886243

IUPAC2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESCCP(C)(=O)OCC(F)(F)F
InChIInChI=1S/C5H10F3O2P/c1-3-11(2,9)10-4-5(6,7)8/h3-4H2,1-2H3
InChIKeyDSVZLINFWSYUCI-UHFFFAOYSA-N
MW190.10 g/mol
LogP2.49
Rot. Bonds3

About 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane

2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane (PubChem CID 12886243) has the molecular formula C5H10F3O2P and a molecular weight of 190.10 g/mol. Its IUPAC name is 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane
PubChem CID12886243
Molecular FormulaC5H10F3O2P
Molecular Weight190.10 g/mol
Exact Mass190.04
IUPAC Name2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESCCP(C)(=O)OCC(F)(F)F
InChIInChI=1S/C5H10F3O2P/c1-3-11(2,9)10-4-5(6,7)8/h3-4H2,1-2H3
InChIKeyDSVZLINFWSYUCI-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bromodifluoromethyl diethylphosphonate
CID 144101
Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Phosphonic acid, (fluoromethyl)-, diethyl ester
CID 178918
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Ethyl diethylphosphinate
CID 20904
Iododifluoromethylphosphonic acid diethyl ester
CID 9972899
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Phosphonic acid, (1-fluoroethyl)-, diethyl ester
CID 10511689
Diethyl trifluorovinylphosphonate
CID 14115299
Bis-trifluoromethyl Ethylphosphonate
CID 4574247

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane?
The IUPAC name of 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane (CID 12886243) is 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane is CCP(C)(=O)OCC(F)(F)F.
What is the InChIKey of 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane?
The InChIKey is DSVZLINFWSYUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O2P/c1-3-11(2,9)10-4-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane?
2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane has a molecular weight of 190.10 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)phosphoryl]oxy-1,1,1-trifluoroethane is sourced from PubChem (CID 12886243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).