6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine

C8H16F3NO2S — CID 104992848

IUPAC6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine
SMILESCNC(CCC(F)(F)F)C(C)S(C)(=O)=O
InChIInChI=1S/C8H16F3NO2S/c1-6(15(3,13)14)7(12-2)4-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyRDFVVEFDPFTMDC-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.35
Rot. Bonds5

About 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine

6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine (PubChem CID 104992848) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine
PubChem CID104992848
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine
SMILESCNC(CCC(F)(F)F)C(C)S(C)(=O)=O
InChIInChI=1S/C8H16F3NO2S/c1-6(15(3,13)14)7(12-2)4-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyRDFVVEFDPFTMDC-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine (CID 104992848) is 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine is CNC(CCC(F)(F)F)C(C)S(C)(=O)=O.
What is the InChIKey of 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine?
The InChIKey is RDFVVEFDPFTMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-6(15(3,13)14)7(12-2)4-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine?
6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine has a molecular weight of 247.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine is sourced from PubChem (CID 104992848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).