tributyl(2,2,2-trifluoroethyl)phosphanium

C14H29F3P+ — CID 21062497

IUPACtributyl(2,2,2-trifluoroethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CC(F)(F)F
InChIInChI=1S/C14H29F3P/c1-4-7-10-18(11-8-5-2,12-9-6-3)13-14(15,16)17/h4-13H2,1-3H3/q+1
InChIKeyFYHCMITWNKFSIC-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.97
Rot. Bonds10

About tributyl(2,2,2-trifluoroethyl)phosphanium

tributyl(2,2,2-trifluoroethyl)phosphanium (PubChem CID 21062497) has the molecular formula C14H29F3P+ and a molecular weight of 285.35 g/mol. Its IUPAC name is tributyl(2,2,2-trifluoroethyl)phosphanium.

Molecular Properties

Compound Nametributyl(2,2,2-trifluoroethyl)phosphanium
PubChem CID21062497
Molecular FormulaC14H29F3P+
Molecular Weight285.35 g/mol
Exact Mass285.20
IUPAC Nametributyl(2,2,2-trifluoroethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CC(F)(F)F
InChIInChI=1S/C14H29F3P/c1-4-7-10-18(11-8-5-2,12-9-6-3)13-14(15,16)17/h4-13H2,1-3H3/q+1
InChIKeyFYHCMITWNKFSIC-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(2,2,2-trifluoroethyl)phosphanium?
The IUPAC name of tributyl(2,2,2-trifluoroethyl)phosphanium (CID 21062497) is tributyl(2,2,2-trifluoroethyl)phosphanium.
What is the SMILES notation for tributyl(2,2,2-trifluoroethyl)phosphanium?
The canonical SMILES for tributyl(2,2,2-trifluoroethyl)phosphanium is CCCC[P+](CCCC)(CCCC)CC(F)(F)F.
What is the InChIKey of tributyl(2,2,2-trifluoroethyl)phosphanium?
The InChIKey is FYHCMITWNKFSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3P/c1-4-7-10-18(11-8-5-2,12-9-6-3)13-14(15,16)17/h4-13H2,1-3H3/q+1.
What are the key properties of tributyl(2,2,2-trifluoroethyl)phosphanium?
tributyl(2,2,2-trifluoroethyl)phosphanium has a molecular weight of 285.35 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2,2,2-trifluoroethyl)phosphanium is sourced from PubChem (CID 21062497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).