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

C6H10F3NS — CID 116615241

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCSC(F)(F)F
InChIInChI=1S/C6H10F3NS/c1-2-3-10-4-5-11-6(7,8)9/h2,10H,1,3-5H2
InChIKeyOQRZXLLGACZFNU-UHFFFAOYSA-N
MW185.21 g/mol
LogP2.02
Rot. Bonds5

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

N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine (PubChem CID 116615241) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
PubChem CID116615241
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCSC(F)(F)F
InChIInChI=1S/C6H10F3NS/c1-2-3-10-4-5-11-6(7,8)9/h2,10H,1,3-5H2
InChIKeyOQRZXLLGACZFNU-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 52.02
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

Tetrahydro-1,4-thiazepine
CID 58044730
Bis(prop-2-enyl)-(trifluoromethylsulfanyl)azanium
CID 173019455
1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 106425391
2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
2,2,2-trifluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427545
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
2,2-difluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427794
3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427931
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106428159
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106429034
(E)-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106429263
(E)-3-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 106429282

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine (CID 116615241) is N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine is C=CCNCCSC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
The InChIKey is OQRZXLLGACZFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-2-3-10-4-5-11-6(7,8)9/h2,10H,1,3-5H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine has a molecular weight of 185.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 116615241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).