N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride

C11H24ClF3N2O2 — CID 90374794

IUPACN,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride
SMILESCCN(CC)C(=O)C(F)(F)F.C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C6H10F3NO.C5H14NO.ClH/c1-3-10(4-2)5(11)6(7,8)9;1-6(2,3)4-5-7;/h3-4H2,1-2H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyHVDRULVQPHGFNT-UHFFFAOYSA-M
MW308.77 g/mol
LogP-1.89
Rot. Bonds4

About N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride

N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride (PubChem CID 90374794) has the molecular formula C11H24ClF3N2O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride.

Molecular Properties

Compound NameN,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride
PubChem CID90374794
Molecular FormulaC11H24ClF3N2O2
Molecular Weight308.77 g/mol
Exact Mass308.15
IUPAC NameN,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride
SMILESCCN(CC)C(=O)C(F)(F)F.C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C6H10F3NO.C5H14NO.ClH/c1-3-10(4-2)5(11)6(7,8)9;1-6(2,3)4-5-7;/h3-4H2,1-2H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyHVDRULVQPHGFNT-UHFFFAOYSA-M
XLogP-1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride?
The IUPAC name of N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride (CID 90374794) is N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride.
What is the SMILES notation for N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride?
The canonical SMILES for N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride is CCN(CC)C(=O)C(F)(F)F.C[N+](C)(C)CCO.[Cl-].
What is the InChIKey of N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride?
The InChIKey is HVDRULVQPHGFNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10F3NO.C5H14NO.ClH/c1-3-10(4-2)5(11)6(7,8)9;1-6(2,3)4-5-7;/h3-4H2,1-2H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1.
What are the key properties of N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride?
N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride has a molecular weight of 308.77 g/mol, XLogP of -1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2,2-trifluoroacetamide;2-hydroxyethyl(trimethyl)azanium;chloride is sourced from PubChem (CID 90374794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).