6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine

C11H22F3NO — CID 105174278

IUPAC6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
SMILESCNC(CCCC(F)(F)F)COC(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-10(2,3)16-8-9(15-4)6-5-7-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyMQJKBQKXTKMMBZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds6

About 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine

6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine (PubChem CID 105174278) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
PubChem CID105174278
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
SMILESCNC(CCCC(F)(F)F)COC(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-10(2,3)16-8-9(15-4)6-5-7-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyMQJKBQKXTKMMBZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(tert-Butoxy)methyl]piperidine
CID 10654754
4,4-difluoro-2-methoxy-N-methylcyclohexan-1-amine
CID 90260558
2-(4,4-difluoropentoxy)-N,2-dimethylpropan-1-amine
CID 91181200
4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 138741168
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
2-(Ethoxymethyl)-5,5-difluoropiperidine
CID 176568566
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696
2-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43755109
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine (CID 105174278) is 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine is CNC(CCCC(F)(F)F)COC(C)(C)C.
What is the InChIKey of 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
The InChIKey is MQJKBQKXTKMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,3)16-8-9(15-4)6-5-7-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine is sourced from PubChem (CID 105174278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).