3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine

C8H14F3NS — CID 106427931

IUPAC3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCCC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-2-6-13-7-5-12-4-3-8(9,10)11/h2,12H,1,3-7H2
InChIKeyJCTJSLGTXOIXHW-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.45
Rot. Bonds7

About 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine

3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine (PubChem CID 106427931) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
PubChem CID106427931
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCCC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-2-6-13-7-5-12-4-3-8(9,10)11/h2,12H,1,3-7H2
InChIKeyJCTJSLGTXOIXHW-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.45
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

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-2-[(2-prop-2-enylsulfanylethylamino)methyl]propanenitrile
CID 106427991
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106428159
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106429034
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine
CID 106429395
N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 116615241

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine (CID 106427931) is 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine is C=CCSCCNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The InChIKey is JCTJSLGTXOIXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-2-6-13-7-5-12-4-3-8(9,10)11/h2,12H,1,3-7H2.
What are the key properties of 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 106427931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).