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

C9H16F3O3P — CID 87624873

IUPACbutyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CCCC)C(F)(F)F
InChIInChI=1S/C9H16F3O3P/c1-3-5-7-16(13,14)15-8(6-4-2)9(10,11)12/h4,8H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyFYKTUNUQLRNZHC-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.50
Rot. Bonds7

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

butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (PubChem CID 87624873) has the molecular formula C9H16F3O3P and a molecular weight of 260.19 g/mol. Its IUPAC name is butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
PubChem CID87624873
Molecular FormulaC9H16F3O3P
Molecular Weight260.19 g/mol
Exact Mass260.08
IUPAC Namebutyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CCCC)C(F)(F)F
InChIInChI=1S/C9H16F3O3P/c1-3-5-7-16(13,14)15-8(6-4-2)9(10,11)12/h4,8H,2-3,5-7H2,1H3,(H,13,14)
InChIKeyFYKTUNUQLRNZHC-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.50
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 butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The IUPAC name of butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (CID 87624873) is butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.
What is the SMILES notation for butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The canonical SMILES for butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is C=CCC(OP(=O)(O)CCCC)C(F)(F)F.
What is the InChIKey of butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The InChIKey is FYKTUNUQLRNZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3O3P/c1-3-5-7-16(13,14)15-8(6-4-2)9(10,11)12/h4,8H,2-3,5-7H2,1H3,(H,13,14).
What are the key properties of butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid has a molecular weight of 260.19 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87624873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).