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

C7H12F3NS — CID 114616982

IUPAC2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNCCSC(F)(F)F
InChIInChI=1S/C7H12F3NS/c1-6(2)5-11-3-4-12-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyUEBXYLWVZQDIKZ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.41
Rot. Bonds5

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

2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine (PubChem CID 114616982) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
PubChem CID114616982
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNCCSC(F)(F)F
InChIInChI=1S/C7H12F3NS/c1-6(2)5-11-3-4-12-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyUEBXYLWVZQDIKZ-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.41
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-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 116615399
propan-2-yl 2-[2-(trifluoromethylsulfanyl)ethylamino]acetate
CID 106429252
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
3,3-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 106146928
N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-yn-1-amine
CID 116643936
N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 116615333
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 106429534
(2-methylprop-2-enylamino)methanol
CID 19091971
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
CID 119727737
N-methoxy-2-(trifluoromethylsulfanyl)ethanamine
CID 116615600
methyl 2-hydroxy-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoate
CID 106429028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine (CID 114616982) is 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine is C=C(C)CNCCSC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
The InChIKey is UEBXYLWVZQDIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-6(2)5-11-3-4-12-7(8,9)10/h11H,1,3-5H2,2H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine?
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 114616982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).