methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid

C5H8F3O3P — CID 154509943

IUPACmethoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid
SMILESCOP(=O)(O)C=CCC(F)(F)F
InChIInChI=1S/C5H8F3O3P/c1-11-12(9,10)4-2-3-5(6,7)8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyPSHJWGOZNXUHNH-UHFFFAOYSA-N
MW204.08 g/mol
LogP2.28
Rot. Bonds3

About methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid

methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid (PubChem CID 154509943) has the molecular formula C5H8F3O3P and a molecular weight of 204.08 g/mol. Its IUPAC name is methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid
PubChem CID154509943
Molecular FormulaC5H8F3O3P
Molecular Weight204.08 g/mol
Exact Mass204.02
IUPAC Namemethoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid
SMILESCOP(=O)(O)C=CCC(F)(F)F
InChIInChI=1S/C5H8F3O3P/c1-11-12(9,10)4-2-3-5(6,7)8/h2,4H,3H2,1H3,(H,9,10)
InChIKeyPSHJWGOZNXUHNH-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509976
ethyl(4,4,4-trifluorobut-1-enyl)phosphinic acid
CID 154509979
[(E)-4,4,4-trifluorobut-1-enyl] acetate
CID 87908862
ethenyl(methoxy)phosphinic acid
CID 19693452
methyl 2-methylprop-2-enoate;5,5,5-trifluoropent-2-enoic acid
CID 87690225
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
methyl 1,1,2,2,2-pentafluoroethyl hydrogen phosphate;phosphoric acid
CID 159511101
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
2-methoxyethyl 3,3,3-trifluoropropanoate;3,3,3-trifluoropropanal
CID 144841967
fluoro(methoxy)phosphinic acid
CID 23235630
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
(E)-5,5,5-trifluoropent-2-enoic acid
CID 55296417

Frequently Asked Questions

What is the IUPAC name of methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The IUPAC name of methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid (CID 154509943) is methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid.
What is the SMILES notation for methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The canonical SMILES for methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid is COP(=O)(O)C=CCC(F)(F)F.
What is the InChIKey of methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid?
The InChIKey is PSHJWGOZNXUHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O3P/c1-11-12(9,10)4-2-3-5(6,7)8/h2,4H,3H2,1H3,(H,9,10).
What are the key properties of methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid?
methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid has a molecular weight of 204.08 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(4,4,4-trifluorobut-1-enyl)phosphinic acid is sourced from PubChem (CID 154509943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).