(1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate

C14H29F3O7P2 — CID 13179232

IUPAC(1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate
SMILESCCCOP(=O)(OCCC)OC(C(F)(F)F)P(=O)(OCCC)OCCC
InChIInChI=1S/C14H29F3O7P2/c1-5-9-20-25(18,21-10-6-2)13(14(15,16)17)24-26(19,22-11-7-3)23-12-8-4/h13H,5-12H2,1-4H3
InChIKeyUUUQTSJHEGMTDZ-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.90
Rot. Bonds15

About (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate

(1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate (PubChem CID 13179232) has the molecular formula C14H29F3O7P2 and a molecular weight of 428.32 g/mol. Its IUPAC name is (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate.

Molecular Properties

Compound Name(1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate
PubChem CID13179232
Molecular FormulaC14H29F3O7P2
Molecular Weight428.32 g/mol
Exact Mass428.13
IUPAC Name(1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate
SMILESCCCOP(=O)(OCCC)OC(C(F)(F)F)P(=O)(OCCC)OCCC
InChIInChI=1S/C14H29F3O7P2/c1-5-9-20-25(18,21-10-6-2)13(14(15,16)17)24-26(19,22-11-7-3)23-12-8-4/h13H,5-12H2,1-4H3
InChIKeyUUUQTSJHEGMTDZ-UHFFFAOYSA-N
XLogP5.90
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
bis(2,2,3,3,3-pentafluoropropyl) propyl phosphate
CID 86232148
1-[fluoro(propan-2-yl)phosphoryl]oxypropane
CID 581249
1,1,2,2,3,3,4-heptafluorobutyl dipropyl phosphate
CID 87919122
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
diiodo propyl phosphate
CID 175578929
2,2,3,3,4,4,4-heptafluorobutyl methyl propyl phosphate
CID 140877788
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
dibutyl 3-methylbutan-2-yl phosphate
CID 58096999
1-dipropoxyphosphoryl-N-methylethanamine
CID 71444705
bis(2-chloropropyl) propyl phosphate
CID 142724190

Frequently Asked Questions

What is the IUPAC name of (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate?
The IUPAC name of (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate (CID 13179232) is (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate.
What is the SMILES notation for (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate?
The canonical SMILES for (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate is CCCOP(=O)(OCCC)OC(C(F)(F)F)P(=O)(OCCC)OCCC.
What is the InChIKey of (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate?
The InChIKey is UUUQTSJHEGMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3O7P2/c1-5-9-20-25(18,21-10-6-2)13(14(15,16)17)24-26(19,22-11-7-3)23-12-8-4/h13H,5-12H2,1-4H3.
What are the key properties of (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate?
(1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate has a molecular weight of 428.32 g/mol, XLogP of 5.90, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dipropoxyphosphoryl-2,2,2-trifluoroethyl) dipropyl phosphate is sourced from PubChem (CID 13179232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).