triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium

C10H18F6NO+ — CID 57074527

IUPACtriethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium
SMILESCC[N+](CC)(CC)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6NO/c1-4-17(5-2,6-3)7-18-8(9(11,12)13)10(14,15)16/h8H,4-7H2,1-3H3/q+1
InChIKeyYDFLASMQCYMQRD-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.33
Rot. Bonds6

About triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium

triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium (PubChem CID 57074527) has the molecular formula C10H18F6NO+ and a molecular weight of 282.25 g/mol. Its IUPAC name is triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium.

Molecular Properties

Compound Nametriethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium
PubChem CID57074527
Molecular FormulaC10H18F6NO+
Molecular Weight282.25 g/mol
Exact Mass282.13
IUPAC Nametriethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium
SMILESCC[N+](CC)(CC)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6NO/c1-4-17(5-2,6-3)7-18-8(9(11,12)13)10(14,15)16/h8H,4-7H2,1-3H3/q+1
InChIKeyYDFLASMQCYMQRD-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium?
The IUPAC name of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium (CID 57074527) is triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium.
What is the SMILES notation for triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium?
The canonical SMILES for triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium is CC[N+](CC)(CC)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium?
The InChIKey is YDFLASMQCYMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F6NO/c1-4-17(5-2,6-3)7-18-8(9(11,12)13)10(14,15)16/h8H,4-7H2,1-3H3/q+1.
What are the key properties of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium?
triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium has a molecular weight of 282.25 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)azanium is sourced from PubChem (CID 57074527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).