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

C10H20F4N2S — CID 176943216

IUPAC3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
SMILESCC1CNC(SC(F)(F)F)C(F)C1N.CCC
InChIInChI=1S/C7H12F4N2S.C3H8/c1-3-2-13-6(4(8)5(3)12)14-7(9,10)11;1-3-2/h3-6,13H,2,12H2,1H3;3H2,1-2H3
InChIKeyOKTIKNPEDGCBHC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.89
Rot. Bonds1

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

3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane (PubChem CID 176943216) has the molecular formula C10H20F4N2S and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
PubChem CID176943216
Molecular FormulaC10H20F4N2S
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
SMILESCC1CNC(SC(F)(F)F)C(F)C1N.CCC
InChIInChI=1S/C7H12F4N2S.C3H8/c1-3-2-13-6(4(8)5(3)12)14-7(9,10)11;1-3-2/h3-6,13H,2,12H2,1H3;3H2,1-2H3
InChIKeyOKTIKNPEDGCBHC-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane?
The IUPAC name of 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane (CID 176943216) is 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane.
What is the SMILES notation for 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane?
The canonical SMILES for 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane is CC1CNC(SC(F)(F)F)C(F)C1N.CCC.
What is the InChIKey of 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane?
The InChIKey is OKTIKNPEDGCBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2S.C3H8/c1-3-2-13-6(4(8)5(3)12)14-7(9,10)11;1-3-2/h3-6,13H,2,12H2,1H3;3H2,1-2H3.
What are the key properties of 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane?
3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane has a molecular weight of 276.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane is sourced from PubChem (CID 176943216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).