N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine

C8H12F3NS — CID 116615780

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine
SMILESFC(F)(F)SCCNC1CC=CC1
InChIInChI=1S/C8H12F3NS/c9-8(10,11)13-6-5-12-7-3-1-2-4-7/h1-2,7,12H,3-6H2
InChIKeyDFTMIMVYVFOBNY-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine

N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine (PubChem CID 116615780) has the molecular formula C8H12F3NS and a molecular weight of 211.25 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine
PubChem CID116615780
Molecular FormulaC8H12F3NS
Molecular Weight211.25 g/mol
Exact Mass211.06
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine
SMILESFC(F)(F)SCCNC1CC=CC1
InChIInChI=1S/C8H12F3NS/c9-8(10,11)13-6-5-12-7-3-1-2-4-7/h1-2,7,12H,3-6H2
InChIKeyDFTMIMVYVFOBNY-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.55
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-(trifluoromethylsulfanyl)ethyl]hex-5-en-2-amine
CID 104581858
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-amine
CID 106429467
N-(3,3,3-trifluoropropyl)cyclopent-3-en-1-amine
CID 116112107
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-3-en-1-amine
CID 116615629
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-2-amine
CID 116615774
N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine
CID 103088403
N-(3-ethylsulfanylpropyl)cyclopent-3-en-1-amine
CID 104081564
N-cyclopent-3-en-1-ylthiolan-3-amine
CID 115728360
N-(3-methylsulfanylpropyl)cyclopent-3-en-1-amine
CID 116110872
N-(2-methylsulfanylethyl)cyclopent-3-en-1-amine
CID 116112212
N-(2-ethylsulfanylethyl)cyclopent-3-en-1-amine
CID 116112226

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine (CID 116615780) is N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine is FC(F)(F)SCCNC1CC=CC1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine?
The InChIKey is DFTMIMVYVFOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NS/c9-8(10,11)13-6-5-12-7-3-1-2-4-7/h1-2,7,12H,3-6H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine has a molecular weight of 211.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 116615780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).