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

C4H6F5O4P — CID 170100771

IUPACbis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
SMILESO=P(OCF)(OCF)OCC(F)(F)F
InChIInChI=1S/C4H6F5O4P/c5-2-12-14(10,13-3-6)11-1-4(7,8)9/h1-3H2
InChIKeyVVYTWLUJCDCUJV-UHFFFAOYSA-N
MW244.05 g/mol
LogP2.56
Rot. Bonds6

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

bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate (PubChem CID 170100771) has the molecular formula C4H6F5O4P and a molecular weight of 244.05 g/mol. Its IUPAC name is bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate.

Molecular Properties

Compound Namebis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
PubChem CID170100771
Molecular FormulaC4H6F5O4P
Molecular Weight244.05 g/mol
Exact Mass243.99
IUPAC Namebis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
SMILESO=P(OCF)(OCF)OCC(F)(F)F
InChIInChI=1S/C4H6F5O4P/c5-2-12-14(10,13-3-6)11-1-4(7,8)9/h1-3H2
InChIKeyVVYTWLUJCDCUJV-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
butyl prop-2-enyl 2,2,2-trifluoroethyl phosphate
CID 166490002
bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
CID 175761195
octyl 2,2,3,3-tetrafluoropropyl 2,2,2-trifluoroethyl phosphate
CID 87338296
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
1,1,1-trifluoro-2-[trichloromethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 13134372
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
2-[[chloro(dideuterio)methyl]-(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
CID 11808614
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525

Frequently Asked Questions

What is the IUPAC name of bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate?
The IUPAC name of bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate (CID 170100771) is bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate.
What is the SMILES notation for bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate?
The canonical SMILES for bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate is O=P(OCF)(OCF)OCC(F)(F)F.
What is the InChIKey of bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate?
The InChIKey is VVYTWLUJCDCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5O4P/c5-2-12-14(10,13-3-6)11-1-4(7,8)9/h1-3H2.
What are the key properties of bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate?
bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate has a molecular weight of 244.05 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate is sourced from PubChem (CID 170100771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).