1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine

C8H16F3NS — CID 65127830

IUPAC1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCCSCC(CCC(F)(F)F)NC
InChIInChI=1S/C8H16F3NS/c1-3-13-6-7(12-2)4-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyQNOFGVFFAHLNLH-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.67
Rot. Bonds6

About 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine

1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 65127830) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID65127830
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC Name1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCCSCC(CCC(F)(F)F)NC
InChIInChI=1S/C8H16F3NS/c1-3-13-6-7(12-2)4-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyQNOFGVFFAHLNLH-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
N-methyl-1-(4,4,5,5,5-pentafluoropentylsulfanyl)propan-1-amine
CID 87922050
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
3-(4,4-difluorocyclohexyl)sulfanyl-N-methylbutan-1-amine
CID 141321218
3-(2,2-difluoroethylsulfanyl)-N-methylpropan-1-amine
CID 142607573
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
CID 144798199

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine (CID 65127830) is 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is CCSCC(CCC(F)(F)F)NC.
What is the InChIKey of 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is QNOFGVFFAHLNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-3-13-6-7(12-2)4-5-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine?
1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-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 1-ethylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 65127830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).