2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C9H18F3NO — CID 90140970

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCN(CCOC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,3)14-6-5-13(4)7-9(10,11)12/h5-7H2,1-4H3
InChIKeyQAYLLDTUDOUQBI-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 90140970) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID90140970
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCN(CCOC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,3)14-6-5-13(4)7-9(10,11)12/h5-7H2,1-4H3
InChIKeyQAYLLDTUDOUQBI-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1,1,2-trifluoro-2-heptafluoropropoxy-ethanamine
CID 100977954
N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 57680041
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
N,N-bis(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 57680069
N-(2-methoxyethyl)-2-methyl-N-(3,3,3-trifluoropropyl)propan-2-amine
CID 59028617
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
CID 59203960
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
N,N-Diethyl-2-(2,2,2-trifluoroethoxy)ethan-1-amine
CID 71408315
(2-Ethoxy-1-fluoro-2-methylbutyl)-trimethylazanium
CID 87169826
[2-Ethoxy-2-(fluoromethyl)butyl]-trimethylazanium
CID 87169827

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 90140970) is 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is CN(CCOC(C)(C)C)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is QAYLLDTUDOUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2,3)14-6-5-13(4)7-9(10,11)12/h5-7H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 90140970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).