2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine

C9H18F3NO — CID 62597446

IUPAC2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
SMILESCCC(C)(C)OCCNCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-8(2,3)14-6-5-13-7-9(10,11)12/h13H,4-7H2,1-3H3
InChIKeyJLEFHMAWZDSGIM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine (PubChem CID 62597446) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
PubChem CID62597446
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
SMILESCCC(C)(C)OCCNCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-8(2,3)14-6-5-13-7-9(10,11)12/h13H,4-7H2,1-3H3
InChIKeyJLEFHMAWZDSGIM-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-1-amine
CID 62597960
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792763
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
N-[2-(2-methylbutan-2-yloxy)ethyl]pentan-3-amine
CID 62598656
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62355608
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 115363591
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
N-[2-(2-methylbutan-2-yloxy)ethyl]cyclobutanamine
CID 89142472

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine (CID 62597446) is 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine is CCC(C)(C)OCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine?
The InChIKey is JLEFHMAWZDSGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-8(2,3)14-6-5-13-7-9(10,11)12/h13H,4-7H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine is sourced from PubChem (CID 62597446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).