2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine

C11H20F3NS — CID 62720495

IUPAC2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine
SMILESCC1CCCC(SCCNCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-9-3-2-4-10(7-9)16-6-5-15-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyXPFLUCJMPNUYGS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine (PubChem CID 62720495) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine
PubChem CID62720495
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine
SMILESCC1CCCC(SCCNCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NS/c1-9-3-2-4-10(7-9)16-6-5-15-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyXPFLUCJMPNUYGS-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine (CID 62720495) is 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine is CC1CCCC(SCCNCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine?
The InChIKey is XPFLUCJMPNUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9-3-2-4-10(7-9)16-6-5-15-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine has a molecular weight of 255.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methylcyclohexyl)sulfanylethyl]ethanamine is sourced from PubChem (CID 62720495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).