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

C6H7F6O3P — CID 154047198

IUPAC1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid
SMILESC=CC(OP(=O)(O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6O3P/c1-2-4(6(10,11)12)15-16(13,14)3-5(7,8)9/h2,4H,1,3H2,(H,13,14)
InChIKeyPAUAUVGWNQJYCB-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.87
Rot. Bonds4

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

1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid (PubChem CID 154047198) has the molecular formula C6H7F6O3P and a molecular weight of 272.08 g/mol. Its IUPAC name is 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid.

Molecular Properties

Compound Name1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid
PubChem CID154047198
Molecular FormulaC6H7F6O3P
Molecular Weight272.08 g/mol
Exact Mass272.00
IUPAC Name1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid
SMILESC=CC(OP(=O)(O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6O3P/c1-2-4(6(10,11)12)15-16(13,14)3-5(7,8)9/h2,4H,1,3H2,(H,13,14)
InChIKeyPAUAUVGWNQJYCB-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid?
The IUPAC name of 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid (CID 154047198) is 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid.
What is the SMILES notation for 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid?
The canonical SMILES for 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid is C=CC(OP(=O)(O)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid?
The InChIKey is PAUAUVGWNQJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O3P/c1-2-4(6(10,11)12)15-16(13,14)3-5(7,8)9/h2,4H,1,3H2,(H,13,14).
What are the key properties of 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid?
1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid has a molecular weight of 272.08 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid is sourced from PubChem (CID 154047198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).