[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium

C18H34F8N2O4+2 — CID 58194902

IUPAC[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium
SMILESC[N+](C)(CC[N+](C)(C)CC(O)COCC(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C18H34F8N2O4/c1-27(2,7-13(29)9-31-11-17(23,24)15(19)20)5-6-28(3,4)8-14(30)10-32-12-18(25,26)16(21)22/h13-16,29-30H,5-12H2,1-4H3/q+2
InChIKeyUSDZHHUYKBRDTQ-UHFFFAOYSA-N
MW494.46 g/mol
LogP1.70
Rot. Bonds17

About [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium

[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium (PubChem CID 58194902) has the molecular formula C18H34F8N2O4+2 and a molecular weight of 494.46 g/mol. Its IUPAC name is [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium
PubChem CID58194902
Molecular FormulaC18H34F8N2O4+2
Molecular Weight494.46 g/mol
Exact Mass494.24
IUPAC Name[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium
SMILESC[N+](C)(CC[N+](C)(C)CC(O)COCC(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C18H34F8N2O4/c1-27(2,7-13(29)9-31-11-17(23,24)15(19)20)5-6-28(3,4)8-14(30)10-32-12-18(25,26)16(21)22/h13-16,29-30H,5-12H2,1-4H3/q+2
InChIKeyUSDZHHUYKBRDTQ-UHFFFAOYSA-N
XLogP1.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium?
The IUPAC name of [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium (CID 58194902) is [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium is C[N+](C)(CC[N+](C)(C)CC(O)COCC(F)(F)C(F)F)CC(O)COCC(F)(F)C(F)F.
What is the InChIKey of [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium?
The InChIKey is USDZHHUYKBRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F8N2O4/c1-27(2,7-13(29)9-31-11-17(23,24)15(19)20)5-6-28(3,4)8-14(30)10-32-12-18(25,26)16(21)22/h13-16,29-30H,5-12H2,1-4H3/q+2.
What are the key properties of [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium?
[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium has a molecular weight of 494.46 g/mol, XLogP of 1.70, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-dimethylazaniumyl]ethyl]-dimethylazanium is sourced from PubChem (CID 58194902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).