propyl bis(2,2,2-trifluoroethyl) phosphate

C7H11F6O4P — CID 15531206

IUPACpropyl bis(2,2,2-trifluoroethyl) phosphate
SMILESCCCOP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H11F6O4P/c1-2-3-15-18(14,16-4-6(8,9)10)17-5-7(11,12)13/h2-5H2,1H3
InChIKeyUXRHKNIBYBQYMA-UHFFFAOYSA-N
MW304.12 g/mol
LogP3.68
Rot. Bonds7

About propyl bis(2,2,2-trifluoroethyl) phosphate

propyl bis(2,2,2-trifluoroethyl) phosphate (PubChem CID 15531206) has the molecular formula C7H11F6O4P and a molecular weight of 304.12 g/mol. Its IUPAC name is propyl bis(2,2,2-trifluoroethyl) phosphate.

Molecular Properties

Compound Namepropyl bis(2,2,2-trifluoroethyl) phosphate
PubChem CID15531206
Molecular FormulaC7H11F6O4P
Molecular Weight304.12 g/mol
Exact Mass304.03
IUPAC Namepropyl bis(2,2,2-trifluoroethyl) phosphate
SMILESCCCOP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H11F6O4P/c1-2-3-15-18(14,16-4-6(8,9)10)17-5-7(11,12)13/h2-5H2,1H3
InChIKeyUXRHKNIBYBQYMA-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl bis(2,2,2-trifluoroethyl) 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

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Tris(2,2,2-Trifluoroethyl) phosphate
CID 303454
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Bis(3,3,3-trifluoropropyl) hydrogen phosphate
CID 171653
Tris(1H,1H-heptafluorobutyl)phosphate
CID 2778036
2,2,3,3-Tetrafluoropropyl Dihydrogen Phosphate
CID 14027070
Bis(2,2,2-trifluoroethyl) Phosphite
CID 6386648
2,2,3,3,4,4,4-Heptafluorobutyl Dihydrogen Phosphate
CID 138396490
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Phosphonic acid, (1-(difluoromethyl)-2,2-difluoro-1-hydroxyethyl)-, diethyl ester
CID 101831
Diethylbeta,beta-difluorovinyl phosphate
CID 12652589
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471

Frequently Asked Questions

What is the IUPAC name of propyl bis(2,2,2-trifluoroethyl) phosphate?
The IUPAC name of propyl bis(2,2,2-trifluoroethyl) phosphate (CID 15531206) is propyl bis(2,2,2-trifluoroethyl) phosphate.
What is the SMILES notation for propyl bis(2,2,2-trifluoroethyl) phosphate?
The canonical SMILES for propyl bis(2,2,2-trifluoroethyl) phosphate is CCCOP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of propyl bis(2,2,2-trifluoroethyl) phosphate?
The InChIKey is UXRHKNIBYBQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6O4P/c1-2-3-15-18(14,16-4-6(8,9)10)17-5-7(11,12)13/h2-5H2,1H3.
What are the key properties of propyl bis(2,2,2-trifluoroethyl) phosphate?
propyl bis(2,2,2-trifluoroethyl) phosphate has a molecular weight of 304.12 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl bis(2,2,2-trifluoroethyl) phosphate is sourced from PubChem (CID 15531206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).