2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C10H16F3NS — CID 106174177

IUPAC2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)SCCNCCC1=CCCC1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-8-7-14-6-5-9-3-1-2-4-9/h3,14H,1-2,4-8H2
InChIKeyGMGPNKRMRACYME-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.33
Rot. Bonds6

About 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 106174177) has the molecular formula C10H16F3NS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID106174177
Molecular FormulaC10H16F3NS
Molecular Weight239.31 g/mol
Exact Mass239.10
IUPAC Name2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)SCCNCCC1=CCCC1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)15-8-7-14-6-5-9-3-1-2-4-9/h3,14H,1-2,4-8H2
InChIKeyGMGPNKRMRACYME-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 106173856
N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 106173933
N-[2-(cyclopenten-1-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 106173935
N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine
CID 106173983
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427251
N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine
CID 106429121
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 115584877
2-(cyclohexen-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 116615526
N-[2-(cyclopenten-1-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 103096941
N-[2-(cyclopenten-1-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103278176
N-[2-(cyclopenten-1-yl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104081709
2-(cyclopenten-1-yl)-N-(2-ethylsulfanylethyl)ethanamine
CID 104668727

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 106174177) is 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is FC(F)(F)SCCNCCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is GMGPNKRMRACYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NS/c11-10(12,13)15-8-7-14-6-5-9-3-1-2-4-9/h3,14H,1-2,4-8H2.
What are the key properties of 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).