2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C8H14F3NS2 — CID 106428159

IUPAC2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC=CCSCCNCCSC(F)(F)F
InChIInChI=1S/C8H14F3NS2/c1-2-5-13-6-3-12-4-7-14-8(9,10)11/h2,12H,1,3-7H2
InChIKeyLLCJWTOSOXACSZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.75
Rot. Bonds8

About 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 106428159) has the molecular formula C8H14F3NS2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID106428159
Molecular FormulaC8H14F3NS2
Molecular Weight245.33 g/mol
Exact Mass245.05
IUPAC Name2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESC=CCSCCNCCSC(F)(F)F
InChIInChI=1S/C8H14F3NS2/c1-2-5-13-6-3-12-4-7-14-8(9,10)11/h2,12H,1,3-7H2
InChIKeyLLCJWTOSOXACSZ-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,1,1-trifluoro-N-(2-prop-1-en-2-ylsulfanylethyl)propan-2-amine
CID 167080608
1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 106425391
2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
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
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106429034
N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 116615241
N-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 116615772
2-(2-Prop-2-enylsulfanylethylamino)ethanethiol
CID 101365410

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 106428159) is 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is C=CCSCCNCCSC(F)(F)F.
What is the InChIKey of 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is LLCJWTOSOXACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS2/c1-2-5-13-6-3-12-4-7-14-8(9,10)11/h2,12H,1,3-7H2.
What are the key properties of 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106428159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).