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

C4H6F5O4P — CID 87247395

IUPACfluoro methyl 1,2,3,3-tetrafluoropropyl phosphate
SMILESCOP(=O)(OF)OC(F)C(F)C(F)F
InChIInChI=1S/C4H6F5O4P/c1-11-14(10,13-9)12-4(8)2(5)3(6)7/h2-4H,1H3
InChIKeySXQOXPRXCKXDQO-UHFFFAOYSA-N
MW244.05 g/mol
LogP2.56
Rot. Bonds6

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

fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate (PubChem CID 87247395) has the molecular formula C4H6F5O4P and a molecular weight of 244.05 g/mol. Its IUPAC name is fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate.

Molecular Properties

Compound Namefluoro methyl 1,2,3,3-tetrafluoropropyl phosphate
PubChem CID87247395
Molecular FormulaC4H6F5O4P
Molecular Weight244.05 g/mol
Exact Mass243.99
IUPAC Namefluoro methyl 1,2,3,3-tetrafluoropropyl phosphate
SMILESCOP(=O)(OF)OC(F)C(F)C(F)F
InChIInChI=1S/C4H6F5O4P/c1-11-14(10,13-9)12-4(8)2(5)3(6)7/h2-4H,1H3
InChIKeySXQOXPRXCKXDQO-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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Frequently Asked Questions

What is the IUPAC name of fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate?
The IUPAC name of fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate (CID 87247395) is fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate.
What is the SMILES notation for fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate?
The canonical SMILES for fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate is COP(=O)(OF)OC(F)C(F)C(F)F.
What is the InChIKey of fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate?
The InChIKey is SXQOXPRXCKXDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5O4P/c1-11-14(10,13-9)12-4(8)2(5)3(6)7/h2-4H,1H3.
What are the key properties of fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate?
fluoro methyl 1,2,3,3-tetrafluoropropyl 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 fluoro methyl 1,2,3,3-tetrafluoropropyl phosphate is sourced from PubChem (CID 87247395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).