dipropoxyphosphoryl-bis(trifluoromethyl)phosphane

C8H14F6O3P2 — CID 13179222

IUPACdipropoxyphosphoryl-bis(trifluoromethyl)phosphane
SMILESCCCOP(=O)(OCCC)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6O3P2/c1-3-5-16-19(15,17-6-4-2)18(7(9,10)11)8(12,13)14/h3-6H2,1-2H3
InChIKeyAOQHDGZCLVXEHA-UHFFFAOYSA-N
MW334.13 g/mol
LogP5.47
Rot. Bonds7

About dipropoxyphosphoryl-bis(trifluoromethyl)phosphane

dipropoxyphosphoryl-bis(trifluoromethyl)phosphane (PubChem CID 13179222) has the molecular formula C8H14F6O3P2 and a molecular weight of 334.13 g/mol. Its IUPAC name is dipropoxyphosphoryl-bis(trifluoromethyl)phosphane.

Molecular Properties

Compound Namedipropoxyphosphoryl-bis(trifluoromethyl)phosphane
PubChem CID13179222
Molecular FormulaC8H14F6O3P2
Molecular Weight334.13 g/mol
Exact Mass334.03
IUPAC Namedipropoxyphosphoryl-bis(trifluoromethyl)phosphane
SMILESCCCOP(=O)(OCCC)P(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H14F6O3P2/c1-3-5-16-19(15,17-6-4-2)18(7(9,10)11)8(12,13)14/h3-6H2,1-2H3
InChIKeyAOQHDGZCLVXEHA-UHFFFAOYSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.13
LogP ≤ 55.47
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

[3-(Diethoxy-phosphoryl)-1,1,2,2,3,3-hexafluoro-propyl]-phosphonic acid diethyl ester
CID 9979741
[4-(Diethoxy-phosphoryl)-1,1,2,2,3,3,4,4-octafluoro-butyl]-phosphonic acid diethyl ester
CID 10096428
Di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
CID 13179223
Dibutoxyphosphoryl-bis(trifluoromethyl)phosphane
CID 13179224
Bis(2-methylpropoxy)phosphoryl-bis(trifluoromethyl)phosphane
CID 13179225
3,3,3-Trifluoropropyl di-(3,3,3-trifluoropropyl)phosphinate
CID 129808977
o-Butyl ethyl(heptafluoropropyl)phosphinate
CID 6420211
o-Isobutyl ethyl(heptafluoropropyl)phosphinate
CID 6420673
o-Propyl ethyl(heptafluoropropyl)phosphinate
CID 6421628
o-Ethyl ethyl(heptafluoropropyl)phosphinate
CID 6421632
o-Isopropyl ethyl(heptafluoropropyl)phosphinate
CID 6421636
1,1,2,2-Tetrafluoro-3-[methyl(2,2,3,3-tetrafluoropropoxy)phosphoryl]oxypropane
CID 12571361

Frequently Asked Questions

What is the IUPAC name of dipropoxyphosphoryl-bis(trifluoromethyl)phosphane?
The IUPAC name of dipropoxyphosphoryl-bis(trifluoromethyl)phosphane (CID 13179222) is dipropoxyphosphoryl-bis(trifluoromethyl)phosphane.
What is the SMILES notation for dipropoxyphosphoryl-bis(trifluoromethyl)phosphane?
The canonical SMILES for dipropoxyphosphoryl-bis(trifluoromethyl)phosphane is CCCOP(=O)(OCCC)P(C(F)(F)F)C(F)(F)F.
What is the InChIKey of dipropoxyphosphoryl-bis(trifluoromethyl)phosphane?
The InChIKey is AOQHDGZCLVXEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6O3P2/c1-3-5-16-19(15,17-6-4-2)18(7(9,10)11)8(12,13)14/h3-6H2,1-2H3.
What are the key properties of dipropoxyphosphoryl-bis(trifluoromethyl)phosphane?
dipropoxyphosphoryl-bis(trifluoromethyl)phosphane has a molecular weight of 334.13 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyphosphoryl-bis(trifluoromethyl)phosphane is sourced from PubChem (CID 13179222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).