butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium

C6H11F3O2P+ — CID 175013344

IUPACbutoxy-oxo-(2,2,2-trifluoroethyl)phosphanium
SMILESCCCCO[P+](=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2P/c1-2-3-4-11-12(10)5-6(7,8)9/h2-5H2,1H3/q+1
InChIKeyVUBOMKKMVDAPRE-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.11
Rot. Bonds5

About butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium

butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium (PubChem CID 175013344) has the molecular formula C6H11F3O2P+ and a molecular weight of 203.12 g/mol. Its IUPAC name is butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium.

Molecular Properties

Compound Namebutoxy-oxo-(2,2,2-trifluoroethyl)phosphanium
PubChem CID175013344
Molecular FormulaC6H11F3O2P+
Molecular Weight203.12 g/mol
Exact Mass203.04
IUPAC Namebutoxy-oxo-(2,2,2-trifluoroethyl)phosphanium
SMILESCCCCO[P+](=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2P/c1-2-3-4-11-12(10)5-6(7,8)9/h2-5H2,1H3/q+1
InChIKeyVUBOMKKMVDAPRE-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.11
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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Related Compounds

dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
nonoxy-oxo-propylphosphanium
CID 174923561
butyl-heptoxy-oxophosphanium
CID 22497580
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
butoxy-dodecoxy-oxophosphanium
CID 175103299
neodymium;octoxy-octyl-oxophosphanium
CID 174731713
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
butoxy-(dichloromethyl)-oxophosphanium
CID 154120622
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dihexadecoxy(oxo)phosphanium
CID 6336657
dodecoxy-octoxy-oxophosphanium
CID 154187352

Frequently Asked Questions

What is the IUPAC name of butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium?
The IUPAC name of butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium (CID 175013344) is butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium.
What is the SMILES notation for butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium?
The canonical SMILES for butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium is CCCCO[P+](=O)CC(F)(F)F.
What is the InChIKey of butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium?
The InChIKey is VUBOMKKMVDAPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2P/c1-2-3-4-11-12(10)5-6(7,8)9/h2-5H2,1H3/q+1.
What are the key properties of butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium?
butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium has a molecular weight of 203.12 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-oxo-(2,2,2-trifluoroethyl)phosphanium is sourced from PubChem (CID 175013344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).