2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

C11H22F3NS — CID 116617693

IUPAC2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-3-5-6-10(4-2,9-15)7-8-16-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyAQQHSFYRUSXXLI-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.17
Rot. Bonds8

About 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (PubChem CID 116617693) has the molecular formula C11H22F3NS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
PubChem CID116617693
Molecular FormulaC11H22F3NS
Molecular Weight257.36 g/mol
Exact Mass257.14
IUPAC Name2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CN)CCSC(F)(F)F
InChIInChI=1S/C11H22F3NS/c1-3-5-6-10(4-2,9-15)7-8-16-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyAQQHSFYRUSXXLI-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Bis(trifluoromethyl)heptylsulfanylmethanamine
CID 129095910
N,2-diethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 113544169
[4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545412
2,2-Difluoro-2-(3-methylthian-3-yl)ethanamine
CID 115020352
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616625
4-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617553
2-[2-(Trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617554
[4-Butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617688
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617689
[1-[2-(Trifluoromethylsulfanyl)ethyl]cyclopentyl]methanamine
CID 116617690
2-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617691
[4-Tert-butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617692

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (CID 116617693) is 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is CCCCC(CC)(CN)CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The InChIKey is AQQHSFYRUSXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NS/c1-3-5-6-10(4-2,9-15)7-8-16-11(12,13)14/h3-9,15H2,1-2H3.
What are the key properties of 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is sourced from PubChem (CID 116617693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).