2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane

C7H10F7O3P — CID 12731016

IUPAC2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane
SMILESCCOP(=O)(OCC)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7O3P/c1-3-16-18(15,17-4-2)5(8,6(9,10)11)7(12,13)14/h3-4H2,1-2H3
InChIKeyHEVVCFSDPGGQFK-UHFFFAOYSA-N
MW306.11 g/mol
LogP4.04
Rot. Bonds5

About 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane

2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 12731016) has the molecular formula C7H10F7O3P and a molecular weight of 306.11 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID12731016
Molecular FormulaC7H10F7O3P
Molecular Weight306.11 g/mol
Exact Mass306.03
IUPAC Name2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane
SMILESCCOP(=O)(OCC)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7O3P/c1-3-16-18(15,17-4-2)5(8,6(9,10)11)7(12,13)14/h3-4H2,1-2H3
InChIKeyHEVVCFSDPGGQFK-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 54.04
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
Bis(3,3,3-trifluoropropyl) hydrogen phosphate
CID 171653
Iododifluoromethylphosphonic acid diethyl ester
CID 9972899
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Phosphonic acid, (1-(difluoromethyl)-2,2-difluoro-1-hydroxyethyl)-, diethyl ester
CID 101831
Diethyl (3,3,3-trifluoroprop-1-yn-1-yl)phosphonate
CID 11009757
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane (CID 12731016) is 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane is CCOP(=O)(OCC)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is HEVVCFSDPGGQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7O3P/c1-3-16-18(15,17-4-2)5(8,6(9,10)11)7(12,13)14/h3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane?
2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 306.11 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 12731016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).