fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate

C3H4F5O4P — CID 87753969

IUPACfluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate
SMILESO=P(O)(OF)OC(F)C(F)C(F)F
InChIInChI=1S/C3H4F5O4P/c4-1(2(5)6)3(7)11-13(9,10)12-8/h1-3H,(H,9,10)
InChIKeyONEDKRSJYJTBFK-UHFFFAOYSA-N
MW230.03 g/mol
LogP1.90
Rot. Bonds5

About fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate

fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate (PubChem CID 87753969) has the molecular formula C3H4F5O4P and a molecular weight of 230.03 g/mol. Its IUPAC name is fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate.

Molecular Properties

Compound Namefluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate
PubChem CID87753969
Molecular FormulaC3H4F5O4P
Molecular Weight230.03 g/mol
Exact Mass229.98
IUPAC Namefluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate
SMILESO=P(O)(OF)OC(F)C(F)C(F)F
InChIInChI=1S/C3H4F5O4P/c4-1(2(5)6)3(7)11-13(9,10)12-8/h1-3H,(H,9,10)
InChIKeyONEDKRSJYJTBFK-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

difluoro 1,2,3,3-tetrafluoropropyl phosphate
CID 87187162
fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate
CID 87247395
fluoro propan-2-yl hydrogen phosphate
CID 22590861
decan-2-yl fluoro hydrogen phosphate
CID 175171865
bromo fluoro hydrogen phosphate
CID 174047934
fluoro methyl hydrogen phosphate
CID 87128109
fluoro dihydrogen phosphate;iron
CID 173042796
fluoro dihydrogen phosphate;platinum
CID 174846501
trifluoro phosphate
CID 19350253
phosphoric acid;tetrafluorophosphanium
CID 175988540
[fluorooxy(hydroxy)phosphoryl] acetate
CID 54246379
ethene;fluoro dihydrogen phosphate
CID 87187087

Frequently Asked Questions

What is the IUPAC name of fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate?
The IUPAC name of fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate (CID 87753969) is fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate.
What is the SMILES notation for fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate?
The canonical SMILES for fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate is O=P(O)(OF)OC(F)C(F)C(F)F.
What is the InChIKey of fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate?
The InChIKey is ONEDKRSJYJTBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5O4P/c4-1(2(5)6)3(7)11-13(9,10)12-8/h1-3H,(H,9,10).
What are the key properties of fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate?
fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate has a molecular weight of 230.03 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,2,3,3-tetrafluoropropyl hydrogen phosphate is sourced from PubChem (CID 87753969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).