bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium

C12H15F10N2O2P — CID 18451606

IUPACbis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium
SMILESCCCCn1cc[n+](C)c1.O=P([O-])(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H15N2.C4HF10O2P/c1-3-4-5-10-7-6-9(2)8-10;5-1(6,7)3(11,12)17(15,16)4(13,14)2(8,9)10/h6-8H,3-5H2,1-2H3;(H,15,16)/q+1;/p-1
InChIKeyCCMGWQKKOYVFNL-UHFFFAOYSA-M
MW440.22 g/mol
LogP4.05
Rot. Bonds5

About bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium

bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium (PubChem CID 18451606) has the molecular formula C12H15F10N2O2P and a molecular weight of 440.22 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium
PubChem CID18451606
Molecular FormulaC12H15F10N2O2P
Molecular Weight440.22 g/mol
Exact Mass440.07
IUPAC Namebis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium
SMILESCCCCn1cc[n+](C)c1.O=P([O-])(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H15N2.C4HF10O2P/c1-3-4-5-10-7-6-9(2)8-10;5-1(6,7)3(11,12)17(15,16)4(13,14)2(8,9)10/h6-8H,3-5H2,1-2H3;(H,15,16)/q+1;/p-1
InChIKeyCCMGWQKKOYVFNL-UHFFFAOYSA-M
XLogP4.05
TPSA48.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
CID 173063535
1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate
CID 173257218
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
dipropyl phosphate;1-methyl-3-pentylimidazol-1-ium
CID 89414213
magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid
CID 175115848
1-butyl-3-methylimidazol-3-ium;2,2,2-trifluoroethanesulfonate
CID 140652261
dipropyl phosphate;1-methyl-3-octylimidazol-1-ium
CID 89414402
1-butyl-3-methylimidazol-3-ium;trimethyl phosphate
CID 175119009
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
dimethyl phosphate;1-hexadecyl-3-methylimidazol-3-ium
CID 86677011

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium (CID 18451606) is bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium is CCCCn1cc[n+](C)c1.O=P([O-])(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium?
The InChIKey is CCMGWQKKOYVFNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.C4HF10O2P/c1-3-4-5-10-7-6-9(2)8-10;5-1(6,7)3(11,12)17(15,16)4(13,14)2(8,9)10/h6-8H,3-5H2,1-2H3;(H,15,16)/q+1;/p-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium?
bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium has a molecular weight of 440.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium is sourced from PubChem (CID 18451606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).