3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane

C7H12F5O3P — CID 172877543

IUPAC3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
SMILESCCOP(=O)(CC(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C7H12F5O3P/c1-3-14-16(13,15-4-2)5-6(8,9)7(10,11)12/h3-5H2,1-2H3
InChIKeyQLIHSVNXMPRYNL-UHFFFAOYSA-N
MW270.13 g/mol
LogP3.45
Rot. Bonds6

About 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane

3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane (PubChem CID 172877543) has the molecular formula C7H12F5O3P and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
PubChem CID172877543
Molecular FormulaC7H12F5O3P
Molecular Weight270.13 g/mol
Exact Mass270.04
IUPAC Name3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
SMILESCCOP(=O)(CC(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C7H12F5O3P/c1-3-14-16(13,15-4-2)5-6(8,9)7(10,11)12/h3-5H2,1-2H3
InChIKeyQLIHSVNXMPRYNL-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
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
Triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-lambda~5~-phosphane
CID 12732919
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471
Hexafluoroisopropylidenethoxydimethoxyphosphorane
CID 13115973
Diethyl trifluorovinylphosphonate
CID 14115299

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
The IUPAC name of 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane (CID 172877543) is 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
The canonical SMILES for 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane is CCOP(=O)(CC(F)(F)C(F)(F)F)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
The InChIKey is QLIHSVNXMPRYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5O3P/c1-3-14-16(13,15-4-2)5-6(8,9)7(10,11)12/h3-5H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane?
3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane has a molecular weight of 270.13 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane is sourced from PubChem (CID 172877543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).