triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium

C12H24F4NO2+ — CID 58194898

IUPACtriethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium
SMILESCC[N+](CC)(CC)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C12H24F4NO2/c1-4-17(5-2,6-3)7-10(18)8-19-9-12(15,16)11(13)14/h10-11,18H,4-9H2,1-3H3/q+1
InChIKeyGBYWYTNKWGMZRK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.14
Rot. Bonds10

About triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium

triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium (PubChem CID 58194898) has the molecular formula C12H24F4NO2+ and a molecular weight of 290.32 g/mol. Its IUPAC name is triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium
PubChem CID58194898
Molecular FormulaC12H24F4NO2+
Molecular Weight290.32 g/mol
Exact Mass290.17
IUPAC Nametriethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium
SMILESCC[N+](CC)(CC)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C12H24F4NO2/c1-4-17(5-2,6-3)7-10(18)8-19-9-12(15,16)11(13)14/h10-11,18H,4-9H2,1-3H3/q+1
InChIKeyGBYWYTNKWGMZRK-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium?
The IUPAC name of triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium (CID 58194898) is triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium.
What is the SMILES notation for triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium?
The canonical SMILES for triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium is CC[N+](CC)(CC)CC(O)COCC(F)(F)C(F)F.
What is the InChIKey of triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium?
The InChIKey is GBYWYTNKWGMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F4NO2/c1-4-17(5-2,6-3)7-10(18)8-19-9-12(15,16)11(13)14/h10-11,18H,4-9H2,1-3H3/q+1.
What are the key properties of triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium?
triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium has a molecular weight of 290.32 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]azanium is sourced from PubChem (CID 58194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).