N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

C11H16F3NS — CID 103745190

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H16F3NS/c12-11(13,14)16-4-3-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,15H,3-7H2
InChIKeyCAKBIYVFUBMLGF-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.04
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 103745190) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID103745190
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
SMILESFC(F)(F)SCCNCC1CC2C=CC1C2
InChIInChI=1S/C11H16F3NS/c12-11(13,14)16-4-3-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,15H,3-7H2
InChIKeyCAKBIYVFUBMLGF-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 53.04
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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 58455765
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,2-trifluoroethanamine
CID 43225272
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226603
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-1-amine
CID 80133755
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529410
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4,4,4-trifluorobutan-2-amine
CID 104854700
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427071
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427251
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113321761
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,2-difluoroethanamine
CID 115405871
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 115584877
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-fluoropropan-1-amine
CID 115733094

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine (CID 103745190) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is FC(F)(F)SCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is CAKBIYVFUBMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c12-11(13,14)16-4-3-15-7-10-6-8-1-2-9(10)5-8/h1-2,8-10,15H,3-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 251.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 103745190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).