N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine

C10H18F3NS — CID 62581891

IUPACN-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCSC1CCCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)8-14-6-7-15-9-4-2-1-3-5-9/h9,14H,1-8H2
InChIKeyIYDWRKLCBCLRLT-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.20
Rot. Bonds5

About N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine

N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine (PubChem CID 62581891) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine
PubChem CID62581891
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCSC1CCCCC1
InChIInChI=1S/C10H18F3NS/c11-10(12,13)8-14-6-7-15-9-4-2-1-3-5-9/h9,14H,1-8H2
InChIKeyIYDWRKLCBCLRLT-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.20
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 N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine (CID 62581891) is N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCCSC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine?
The InChIKey is IYDWRKLCBCLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)8-14-6-7-15-9-4-2-1-3-5-9/h9,14H,1-8H2.
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine?
N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine has a molecular weight of 241.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62581891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).