6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine

C12H23F3N2O — CID 103531686

IUPAC6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine
SMILESCOC1CCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-11(9-16,5-3-6-12(13,14)15)17-7-4-10(8-17)18-2/h10H,3-9,16H2,1-2H3
InChIKeyXYQMCRYIKCSQLM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds6

About 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine

6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine (PubChem CID 103531686) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine
PubChem CID103531686
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine
SMILESCOC1CCN(C(C)(CN)CCCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-11(9-16,5-3-6-12(13,14)15)17-7-4-10(8-17)18-2/h10H,3-9,16H2,1-2H3
InChIKeyXYQMCRYIKCSQLM-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine
CID 166870101
(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine
CID 166870121
1-Tert-butyl-2,2-dimethyl-3-(trifluoromethoxy)pyrrolidine
CID 169938654
(3R)-1-tert-butyl-2,2-dimethyl-3-(trifluoromethoxy)pyrrolidine
CID 169938655
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008736
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008940
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62009125
1-(aminomethyl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
CID 65805795
1-(aminomethyl)-N-ethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
CID 65806007
1-(aminomethyl)-N-propyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
CID 65806008
6,6,6-Trifluoro-2-(3-methoxypiperidin-1-yl)-2-methylhexan-1-amine
CID 102965097
1,1,1-Trifluoro-2-(3-methoxypyrrolidin-1-yl)pentan-3-amine
CID 103530788

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine (CID 103531686) is 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine is COC1CCN(C(C)(CN)CCCC(F)(F)F)C1.
What is the InChIKey of 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine?
The InChIKey is XYQMCRYIKCSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(9-16,5-3-6-12(13,14)15)17-7-4-10(8-17)18-2/h10H,3-9,16H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine?
6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine is sourced from PubChem (CID 103531686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).