difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate

C4H3F8O4P — CID 151654904

IUPACdifluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate
SMILESO=P(OF)(OF)OCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F8O4P/c5-3(6,7)2(4(8,9)10)1-14-17(13,15-11)16-12/h2H,1H2
InChIKeyQVHFCTGAVWMDHQ-UHFFFAOYSA-N
MW298.02 g/mol
LogP3.65
Rot. Bonds5

About difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate

difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate (PubChem CID 151654904) has the molecular formula C4H3F8O4P and a molecular weight of 298.02 g/mol. Its IUPAC name is difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate.

Molecular Properties

Compound Namedifluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate
PubChem CID151654904
Molecular FormulaC4H3F8O4P
Molecular Weight298.02 g/mol
Exact Mass297.96
IUPAC Namedifluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate
SMILESO=P(OF)(OF)OCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F8O4P/c5-3(6,7)2(4(8,9)10)1-14-17(13,15-11)16-12/h2H,1H2
InChIKeyQVHFCTGAVWMDHQ-UHFFFAOYSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.02
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] 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

trifluoro phosphate
CID 19350253
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
difluoro propan-2-yl phosphate
CID 87647761
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
(2-tert-butyl-3,3-dimethylbutyl) dihydrogen phosphate
CID 58431242
tris[(2R)-2-chloropropyl] phosphate
CID 91865019
tris[(2R)-2,3-dibromopropyl] phosphate
CID 76964191
bis[(2R)-2,3-dibromopropyl] [(2S)-2,3-dibromopropyl] phosphate
CID 76964192
[(2R)-2,3-dibromopropyl] bis[(2S)-2,3-dibromopropyl] phosphate
CID 25021510
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
bis(but-3-enyl) fluoro phosphate
CID 130422814
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525

Frequently Asked Questions

What is the IUPAC name of difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate?
The IUPAC name of difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate (CID 151654904) is difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate.
What is the SMILES notation for difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate?
The canonical SMILES for difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate is O=P(OF)(OF)OCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate?
The InChIKey is QVHFCTGAVWMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F8O4P/c5-3(6,7)2(4(8,9)10)1-14-17(13,15-11)16-12/h2H,1H2.
What are the key properties of difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate?
difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate has a molecular weight of 298.02 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro [3,3,3-trifluoro-2-(trifluoromethyl)propyl] phosphate is sourced from PubChem (CID 151654904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).