ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine

C9H18F4N2S — CID 176942308

IUPACethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
SMILESCC.CC1CNC(SC(F)(F)F)C(F)C1N
InChIInChI=1S/C7H12F4N2S.C2H6/c1-3-2-13-6(4(8)5(3)12)14-7(9,10)11;1-2/h3-6,13H,2,12H2,1H3;1-2H3
InChIKeyXKSUKOQBQWNPDV-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.50
Rot. Bonds1

About ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine

ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine (PubChem CID 176942308) has the molecular formula C9H18F4N2S and a molecular weight of 262.32 g/mol. Its IUPAC name is ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine.

Molecular Properties

Compound Nameethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
PubChem CID176942308
Molecular FormulaC9H18F4N2S
Molecular Weight262.32 g/mol
Exact Mass262.11
IUPAC Nameethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
SMILESCC.CC1CNC(SC(F)(F)F)C(F)C1N
InChIInChI=1S/C7H12F4N2S.C2H6/c1-3-2-13-6(4(8)5(3)12)14-7(9,10)11;1-2/h3-6,13H,2,12H2,1H3;1-2H3
InChIKeyXKSUKOQBQWNPDV-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
The IUPAC name of ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine (CID 176942308) is ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine.
What is the SMILES notation for ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
The canonical SMILES for ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine is CC.CC1CNC(SC(F)(F)F)C(F)C1N.
What is the InChIKey of ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
The InChIKey is XKSUKOQBQWNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2S.C2H6/c1-3-2-13-6(4(8)5(3)12)14-7(9,10)11;1-2/h3-6,13H,2,12H2,1H3;1-2H3.
What are the key properties of ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine?
ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine is sourced from PubChem (CID 176942308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).