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

C10H16F3O3P — CID 87624943

IUPACcyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
SMILESC=CC(OP(=O)(O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3O3P/c1-2-9(10(11,12)13)16-17(14,15)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H,14,15)
InChIKeyQPIZVVNYGPRGLV-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.64
Rot. Bonds4

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

cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid (PubChem CID 87624943) has the molecular formula C10H16F3O3P and a molecular weight of 272.20 g/mol. Its IUPAC name is cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namecyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
PubChem CID87624943
Molecular FormulaC10H16F3O3P
Molecular Weight272.20 g/mol
Exact Mass272.08
IUPAC Namecyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
SMILESC=CC(OP(=O)(O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3O3P/c1-2-9(10(11,12)13)16-17(14,15)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H,14,15)
InChIKeyQPIZVVNYGPRGLV-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.64
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 cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The IUPAC name of cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid (CID 87624943) is cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid.
What is the SMILES notation for cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The canonical SMILES for cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid is C=CC(OP(=O)(O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
The InChIKey is QPIZVVNYGPRGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3O3P/c1-2-9(10(11,12)13)16-17(14,15)8-6-4-3-5-7-8/h2,8-9H,1,3-7H2,(H,14,15).
What are the key properties of cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid?
cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid has a molecular weight of 272.20 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87624943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).