1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine

C8H16F3NO2S — CID 106427278

IUPAC1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
SMILESCOC(OC)C(C)NCCSC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-6(7(13-2)14-3)12-4-5-15-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyGOXDJGLMKMYHTE-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.84
Rot. Bonds7

About 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine

1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine (PubChem CID 106427278) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
PubChem CID106427278
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC Name1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
SMILESCOC(OC)C(C)NCCSC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-6(7(13-2)14-3)12-4-5-15-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyGOXDJGLMKMYHTE-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-difluoropropan-2-yl)-1,1-dimethoxypropan-2-amine
CID 102869609
2,2-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426811
2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-dioxan-5-amine
CID 106427288
2,2-diethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429079
1-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115710763
1-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 115710774
1-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 116088367
4-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116127278
1-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116257879
1-ethylsulfanyl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 116291042
N-[2-[2-(trifluoromethylsulfanyl)ethoxy]ethyl]propan-2-amine
CID 116616564
N-(2,2-dimethoxyethyl)-3-(methylsulfanyl)propan-1-amine
CID 60668848

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine (CID 106427278) is 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine is COC(OC)C(C)NCCSC(F)(F)F.
What is the InChIKey of 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The InChIKey is GOXDJGLMKMYHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-6(7(13-2)14-3)12-4-5-15-8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine has a molecular weight of 247.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 106427278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).