fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid

C5H7F4O3P — CID 87221887

IUPACfluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)F)C(F)(F)F
InChIInChI=1S/C5H7F4O3P/c1-2-3-4(5(6,7)8)12-13(9,10)11/h2,4H,1,3H2,(H,10,11)
InChIKeyISNRXFFAPWTXSA-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.58
Rot. Bonds4

About fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid

fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (PubChem CID 87221887) has the molecular formula C5H7F4O3P and a molecular weight of 222.07 g/mol. Its IUPAC name is fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namefluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
PubChem CID87221887
Molecular FormulaC5H7F4O3P
Molecular Weight222.07 g/mol
Exact Mass222.01
IUPAC Namefluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)F)C(F)(F)F
InChIInChI=1S/C5H7F4O3P/c1-2-3-4(5(6,7)8)12-13(9,10)11/h2,4H,1,3H2,(H,10,11)
InChIKeyISNRXFFAPWTXSA-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87623808
5,5,5-Trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
CID 90920205
5,5,5-Trifluoro-4-[2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
CID 91281354
Methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 117902483
1,1,1-Trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid
CID 154047198
3-Difluorophosphoryloxyhexa-1,5-diene
CID 166519656
4-Difluorophosphoryloxyhepta-1,6-diene
CID 166519674
1,1,1-Trifluorobut-3-en-2-yl dihydrogen phosphate
CID 169742891
1,1-Difluoropenta-1,4-dien-3-yl dihydrogen phosphate
CID 175351929
1,1-Difluorohepta-1,6-dien-4-yl dihydrogen phosphate
CID 175351933
1,1-Difluorohexa-1,5-dien-3-yl dihydrogen phosphate
CID 175386377
2,2,2-Trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 175706393

Frequently Asked Questions

What is the IUPAC name of fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The IUPAC name of fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (CID 87221887) is fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.
What is the SMILES notation for fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The canonical SMILES for fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is C=CCC(OP(=O)(O)F)C(F)(F)F.
What is the InChIKey of fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The InChIKey is ISNRXFFAPWTXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4O3P/c1-2-3-4(5(6,7)8)12-13(9,10)11/h2,4H,1,3H2,(H,10,11).
What are the key properties of fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid has a molecular weight of 222.07 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87221887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).