1-diethoxyphosphoryl-1,2,2-trifluoroethene

C6H10F3O3P — CID 14115299

IUPAC1-diethoxyphosphoryl-1,2,2-trifluoroethene
SMILESCCOP(=O)(OCC)C(F)=C(F)F
InChIInChI=1S/C6H10F3O3P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h3-4H2,1-2H3
InChIKeyMTFYYBGQDTULJW-UHFFFAOYSA-N
MW218.11 g/mol
LogP3.29
Rot. Bonds5

About 1-diethoxyphosphoryl-1,2,2-trifluoroethene

1-diethoxyphosphoryl-1,2,2-trifluoroethene (PubChem CID 14115299) has the molecular formula C6H10F3O3P and a molecular weight of 218.11 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1,2,2-trifluoroethene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1,2,2-trifluoroethene
PubChem CID14115299
Molecular FormulaC6H10F3O3P
Molecular Weight218.11 g/mol
Exact Mass218.03
IUPAC Name1-diethoxyphosphoryl-1,2,2-trifluoroethene
SMILESCCOP(=O)(OCC)C(F)=C(F)F
InChIInChI=1S/C6H10F3O3P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h3-4H2,1-2H3
InChIKeyMTFYYBGQDTULJW-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Iododifluoromethylphosphonic acid diethyl ester
CID 9972899
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (3,3,3-trifluoroprop-1-yn-1-yl)phosphonate
CID 11009757
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Phosphonic acid, (1-fluoroethyl)-, diethyl ester
CID 10511689
Diethylbeta,beta-difluorovinyl phosphate
CID 12652589
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1,2,2-trifluoroethene?
The IUPAC name of 1-diethoxyphosphoryl-1,2,2-trifluoroethene (CID 14115299) is 1-diethoxyphosphoryl-1,2,2-trifluoroethene.
What is the SMILES notation for 1-diethoxyphosphoryl-1,2,2-trifluoroethene?
The canonical SMILES for 1-diethoxyphosphoryl-1,2,2-trifluoroethene is CCOP(=O)(OCC)C(F)=C(F)F.
What is the InChIKey of 1-diethoxyphosphoryl-1,2,2-trifluoroethene?
The InChIKey is MTFYYBGQDTULJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O3P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-1,2,2-trifluoroethene?
1-diethoxyphosphoryl-1,2,2-trifluoroethene has a molecular weight of 218.11 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1,2,2-trifluoroethene is sourced from PubChem (CID 14115299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).