3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene

C7H12F3O3P — CID 54339468

IUPAC3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene
SMILESCCOP(=O)(CC(F)=C(F)F)OCC
InChIInChI=1S/C7H12F3O3P/c1-3-12-14(11,13-4-2)5-6(8)7(9)10/h3-5H2,1-2H3
InChIKeyTXXGZZFLINSANM-UHFFFAOYSA-N
MW232.14 g/mol
LogP3.33
Rot. Bonds6

About 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene

3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene (PubChem CID 54339468) has the molecular formula C7H12F3O3P and a molecular weight of 232.14 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene
PubChem CID54339468
Molecular FormulaC7H12F3O3P
Molecular Weight232.14 g/mol
Exact Mass232.05
IUPAC Name3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene
SMILESCCOP(=O)(CC(F)=C(F)F)OCC
InChIInChI=1S/C7H12F3O3P/c1-3-12-14(11,13-4-2)5-6(8)7(9)10/h3-5H2,1-2H3
InChIKeyTXXGZZFLINSANM-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 53.33
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

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Diethyl trifluorovinylphosphonate
CID 14115299
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
Ethyl perfluoropropenylphosphonofluoridate
CID 85962692
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
CID 13196904
Diethyl (1,1,2,3,3-pentafluoroprop-2-en-1-yl)phosphonate
CID 71340986
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471
3-Diethoxyphosphoryl-3,3-difluoroprop-1-ene
CID 15418131

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene?
The IUPAC name of 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene (CID 54339468) is 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene?
The canonical SMILES for 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene is CCOP(=O)(CC(F)=C(F)F)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene?
The InChIKey is TXXGZZFLINSANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O3P/c1-3-12-14(11,13-4-2)5-6(8)7(9)10/h3-5H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene?
3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene has a molecular weight of 232.14 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1,2-trifluoroprop-1-ene is sourced from PubChem (CID 54339468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).