3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate

C3H4F3O4P — CID 101194809

IUPAC3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate
SMILESC=C(OP(=O)(O)O)C(F)(F)F
InChIInChI=1S/C3H4F3O4P/c1-2(3(4,5)6)10-11(7,8)9/h1H2,(H2,7,8,9)
InChIKeyVIWQYHPHEDHMEI-UHFFFAOYSA-N
MW192.03 g/mol
LogP1.17
Rot. Bonds2

About 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate

3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate (PubChem CID 101194809) has the molecular formula C3H4F3O4P and a molecular weight of 192.03 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate
PubChem CID101194809
Molecular FormulaC3H4F3O4P
Molecular Weight192.03 g/mol
Exact Mass191.98
IUPAC Name3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate
SMILESC=C(OP(=O)(O)O)C(F)(F)F
InChIInChI=1S/C3H4F3O4P/c1-2(3(4,5)6)10-11(7,8)9/h1H2,(H2,7,8,9)
InChIKeyVIWQYHPHEDHMEI-UHFFFAOYSA-N
XLogP1.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene
CID 175343744
phosphono 2,2,2-trifluoroacetate
CID 57464439
1,1,1-trifluorobut-2-en-2-yl dihydrogen phosphate
CID 90860946
1-phosphorosoethenyl dihydrogen phosphate
CID 18967239
trifluoromethyl dihydrogen phosphate
CID 23129820
dimethylphosphoryl 2,2,2-trifluoroacetate
CID 154646257
ethene;fluoro dihydrogen phosphate
CID 87187087
barium(2+);2-phosphonooxyprop-2-enoic acid;silver
CID 54606075
disodium;2-phosphonooxyprop-2-enoate
CID 21118426
2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
CID 87322838
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885
1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate?
The IUPAC name of 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate (CID 101194809) is 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate.
What is the SMILES notation for 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate?
The canonical SMILES for 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate is C=C(OP(=O)(O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate?
The InChIKey is VIWQYHPHEDHMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3O4P/c1-2(3(4,5)6)10-11(7,8)9/h1H2,(H2,7,8,9).
What are the key properties of 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate?
3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate has a molecular weight of 192.03 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate is sourced from PubChem (CID 101194809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).