[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium

C23H44F12N4O2P2+2 — CID 6397662

IUPAC[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium
SMILESCCN(CC)[P+](C[P+](OC(C(F)(F)F)C(F)(F)F)(N(CC)CC)N(CC)CC)(OC(C(F)(F)F)C(F)(F)F)N(CC)CC
InChIInChI=1S/C23H44F12N4O2P2/c1-9-36(10-2)42(37(11-3)12-4,40-18(20(24,25)26)21(27,28)29)17-43(38(13-5)14-6,39(15-7)16-8)41-19(22(30,31)32)23(33,34)35/h18-19H,9-17H2,1-8H3/q+2
InChIKeyAWJDMEHOEOVDNJ-UHFFFAOYSA-N
MW698.56 g/mol
LogP8.86
Rot. Bonds18

About [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium

[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium (PubChem CID 6397662) has the molecular formula C23H44F12N4O2P2+2 and a molecular weight of 698.56 g/mol. Its IUPAC name is [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium.

Molecular Properties

Compound Name[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium
PubChem CID6397662
Molecular FormulaC23H44F12N4O2P2+2
Molecular Weight698.56 g/mol
Exact Mass698.27
IUPAC Name[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium
SMILESCCN(CC)[P+](C[P+](OC(C(F)(F)F)C(F)(F)F)(N(CC)CC)N(CC)CC)(OC(C(F)(F)F)C(F)(F)F)N(CC)CC
InChIInChI=1S/C23H44F12N4O2P2/c1-9-36(10-2)42(37(11-3)12-4,40-18(20(24,25)26)21(27,28)29)17-43(38(13-5)14-6,39(15-7)16-8)41-19(22(30,31)32)23(33,34)35/h18-19H,9-17H2,1-8H3/q+2
InChIKeyAWJDMEHOEOVDNJ-UHFFFAOYSA-N
XLogP8.86
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.56
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxymethoxy)propane
CID 18413317
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 175979976
2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol
CID 149237308
2,2,2-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanol
CID 86050515
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853
2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
CID 150347189
1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy(trimethyl)silane
CID 71695730
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-propylpentane-1-thiol
CID 102723593
N-ethyl-N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 176694566
tetrakis(diethylamino)phosphanium tetrafluoroborate
CID 15443114
2-ethoxy-N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723554

Frequently Asked Questions

What is the IUPAC name of [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium?
The IUPAC name of [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium (CID 6397662) is [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium.
What is the SMILES notation for [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium?
The canonical SMILES for [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium is CCN(CC)[P+](C[P+](OC(C(F)(F)F)C(F)(F)F)(N(CC)CC)N(CC)CC)(OC(C(F)(F)F)C(F)(F)F)N(CC)CC.
What is the InChIKey of [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium?
The InChIKey is AWJDMEHOEOVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44F12N4O2P2/c1-9-36(10-2)42(37(11-3)12-4,40-18(20(24,25)26)21(27,28)29)17-43(38(13-5)14-6,39(15-7)16-8)41-19(22(30,31)32)23(33,34)35/h18-19H,9-17H2,1-8H3/q+2.
What are the key properties of [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium?
[bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium has a molecular weight of 698.56 g/mol, XLogP of 8.86, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphaniumyl]methyl-bis(diethylamino)-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phosphanium is sourced from PubChem (CID 6397662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).