2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine

C8H16F3NO — CID 106705978

IUPAC2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
SMILESCCC(C)(CN)COCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(2,4-12)5-13-6-8(9,10)11/h3-6,12H2,1-2H3
InChIKeyLMVLQCLOQIBFSL-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine

2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine (PubChem CID 106705978) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
PubChem CID106705978
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
SMILESCCC(C)(CN)COCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(2,4-12)5-13-6-8(9,10)11/h3-6,12H2,1-2H3
InChIKeyLMVLQCLOQIBFSL-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
CID 159500657
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
3-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 66036764
2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
tert-butyl 3-[3-[2-(aminomethyl)-2-methylbutoxy]-2,2-dimethylpropoxy]propanoate
CID 134423956
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 62010161
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
1,3-dimethoxy-2,2-dimethylpropane;1-ethoxy-2-(methoxymethyl)-2-methylbutane;methane;1-methoxy-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane;bis(1-methoxypentane)
CID 159392290
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine (CID 106705978) is 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine is CCC(C)(CN)COCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The InChIKey is LMVLQCLOQIBFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-7(2,4-12)5-13-6-8(9,10)11/h3-6,12H2,1-2H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine is sourced from PubChem (CID 106705978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).