N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine

C8H16F3NS — CID 64567635

IUPACN-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
SMILESCCNC(CCC(F)(F)F)CSC
InChIInChI=1S/C8H16F3NS/c1-3-12-7(6-13-2)4-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyXTLFWJYVNINRSE-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine

N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine (PubChem CID 64567635) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
PubChem CID64567635
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC NameN-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
SMILESCCNC(CCC(F)(F)F)CSC
InChIInChI=1S/C8H16F3NS/c1-3-12-7(6-13-2)4-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyXTLFWJYVNINRSE-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-[3-(4,4,5,5,5-pentafluoropentylthio)-propyl]-amine
CID 11391445
2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
1,1,1,2,2-pentafluoro-N-methyl-5-propylsulfanylpentan-3-amine
CID 21714888
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
4,4-Difluoro-2-(methylsulfanylmethyl)pyrrolidine
CID 105433517
N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115905478
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
CID 144798199
(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine (CID 64567635) is N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine is CCNC(CCC(F)(F)F)CSC.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The InChIKey is XTLFWJYVNINRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-3-12-7(6-13-2)4-5-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-methylsulfanylpentan-2-amine is sourced from PubChem (CID 64567635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).