butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium

C8H13F3O2P+ — CID 154509981

IUPACbutoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
SMILESCCCCO[P+](=O)C=CCC(F)(F)F
InChIInChI=1S/C8H13F3O2P/c1-2-3-6-13-14(12)7-4-5-8(9,10)11/h4,7H,2-3,5-6H2,1H3/q+1
InChIKeyFYYOLFCMLTXGSV-UHFFFAOYSA-N
MW229.16 g/mol
LogP4.01
Rot. Bonds6

About butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium

butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium (PubChem CID 154509981) has the molecular formula C8H13F3O2P+ and a molecular weight of 229.16 g/mol. Its IUPAC name is butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium.

Molecular Properties

Compound Namebutoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
PubChem CID154509981
Molecular FormulaC8H13F3O2P+
Molecular Weight229.16 g/mol
Exact Mass229.06
IUPAC Namebutoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium
SMILESCCCCO[P+](=O)C=CCC(F)(F)F
InChIInChI=1S/C8H13F3O2P/c1-2-3-6-13-14(12)7-4-5-8(9,10)11/h4,7H,2-3,5-6H2,1H3/q+1
InChIKeyFYYOLFCMLTXGSV-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
The IUPAC name of butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium (CID 154509981) is butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium.
What is the SMILES notation for butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
The canonical SMILES for butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium is CCCCO[P+](=O)C=CCC(F)(F)F.
What is the InChIKey of butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
The InChIKey is FYYOLFCMLTXGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2P/c1-2-3-6-13-14(12)7-4-5-8(9,10)11/h4,7H,2-3,5-6H2,1H3/q+1.
What are the key properties of butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium?
butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium has a molecular weight of 229.16 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-oxo-(4,4,4-trifluorobut-1-enyl)phosphanium is sourced from PubChem (CID 154509981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).