ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid

C6H10F3O3P — CID 87623347

IUPACethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
SMILESC=CC(OP(=O)(O)CC)C(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-3-5(6(7,8)9)12-13(10,11)4-2/h3,5H,1,4H2,2H3,(H,10,11)
InChIKeyKQFNVNSKGBUGMS-UHFFFAOYSA-N
MW218.11 g/mol
LogP2.33
Rot. Bonds4

About ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid

ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid (PubChem CID 87623347) has the molecular formula C6H10F3O3P and a molecular weight of 218.11 g/mol. Its IUPAC name is ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
PubChem CID87623347
Molecular FormulaC6H10F3O3P
Molecular Weight218.11 g/mol
Exact Mass218.03
IUPAC Nameethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
SMILESC=CC(OP(=O)(O)CC)C(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-3-5(6(7,8)9)12-13(10,11)4-2/h3,5H,1,4H2,2H3,(H,10,11)
InChIKeyKQFNVNSKGBUGMS-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 52.33
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

4,4-dimethylhex-1-en-5-yn-3-yloxy(ethyl)phosphinic acid
CID 118644130
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
ethyl(prop-2-enoyloxy)phosphinic acid
CID 174324939
methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
CID 87127892
ethyl(hydroperoxy)phosphinic acid
CID 54175112
fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid
CID 87128014
ethyl(hydroperoxy)phosphinic acid;rhenium
CID 174770512
2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
ethoxy(1-hydroxyprop-2-enyl)phosphinic acid
CID 175532614
ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid
CID 87155591
but-3-en-2-yloxy(ethenyl)phosphinic acid
CID 88761549
3-methyl-2-(trifluoromethyl)pentanoic acid
CID 23571813

Frequently Asked Questions

What is the IUPAC name of ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The IUPAC name of ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid (CID 87623347) is ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid.
What is the SMILES notation for ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The canonical SMILES for ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid is C=CC(OP(=O)(O)CC)C(F)(F)F.
What is the InChIKey of ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The InChIKey is KQFNVNSKGBUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O3P/c1-3-5(6(7,8)9)12-13(10,11)4-2/h3,5H,1,4H2,2H3,(H,10,11).
What are the key properties of ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid has a molecular weight of 218.11 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87623347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).