6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile

C12H15F3N2S — CID 116535457

IUPAC6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile
SMILESCC(C#N)(CCCC(F)(F)F)NCc1cccs1
InChIInChI=1S/C12H15F3N2S/c1-11(9-16,5-3-6-12(13,14)15)17-8-10-4-2-7-18-10/h2,4,7,17H,3,5-6,8H2,1H3
InChIKeyDCQPTFMZARCSDJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.85
Rot. Bonds6

About 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile

6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile (PubChem CID 116535457) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile
PubChem CID116535457
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile
SMILESCC(C#N)(CCCC(F)(F)F)NCc1cccs1
InChIInChI=1S/C12H15F3N2S/c1-11(9-16,5-3-6-12(13,14)15)17-8-10-4-2-7-18-10/h2,4,7,17H,3,5-6,8H2,1H3
InChIKeyDCQPTFMZARCSDJ-UHFFFAOYSA-N
XLogP3.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methylpentan-2-yl)(thiophen-2-ylmethyl)amine
CID 112756260
2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
CID 101163483
N'-[[5-(trifluoromethyl)thiophen-3-yl]methyl]ethane-1,2-diamine
CID 70458054
N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine
CID 70458590
N-(2-fluoroethyl)-1-(4-methylthiophen-2-yl)ethenamine
CID 135129232
ethane;(1R)-N-methyl-1-[4-(trifluoromethyl)thiophen-2-yl]ethanamine
CID 168232277
3,3-difluoro-N-methyl-1-thiophen-2-ylcyclobutan-1-amine
CID 175484217
N-(tert-butyl)-N-[(5-methyl-2-thienyl)methyl]amine
CID 712684
3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 3653767
Ethyl(2-thienylcyclohexyl)amine
CID 18323952
2-(Benzylamino)-2-thiophen-2-ylacetonitrile
CID 11253178
4-(2-Thiophen-2-ylethylamino)butanenitrile
CID 28582419

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile (CID 116535457) is 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile is CC(C#N)(CCCC(F)(F)F)NCc1cccs1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile?
The InChIKey is DCQPTFMZARCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-11(9-16,5-3-6-12(13,14)15)17-8-10-4-2-7-18-10/h2,4,7,17H,3,5-6,8H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile?
6,6,6-trifluoro-2-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile has a molecular weight of 276.33 g/mol, XLogP of 3.85, 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-methyl-2-(thiophen-2-ylmethylamino)hexanenitrile is sourced from PubChem (CID 116535457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).