2-methoxy-N-(trifluoromethylsulfanyl)ethanamine

C4H8F3NOS — CID 129294912

IUPAC2-methoxy-N-(trifluoromethylsulfanyl)ethanamine
SMILESCOCCNSC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c1-9-3-2-8-10-4(5,6)7/h8H,2-3H2,1H3
InChIKeyDPHXSFRXAUSCCV-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.39
Rot. Bonds4

About 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine

2-methoxy-N-(trifluoromethylsulfanyl)ethanamine (PubChem CID 129294912) has the molecular formula C4H8F3NOS and a molecular weight of 175.17 g/mol. Its IUPAC name is 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(trifluoromethylsulfanyl)ethanamine
PubChem CID129294912
Molecular FormulaC4H8F3NOS
Molecular Weight175.17 g/mol
Exact Mass175.03
IUPAC Name2-methoxy-N-(trifluoromethylsulfanyl)ethanamine
SMILESCOCCNSC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c1-9-3-2-8-10-4(5,6)7/h8H,2-3H2,1H3
InChIKeyDPHXSFRXAUSCCV-UHFFFAOYSA-N
XLogP1.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-N-(2-methoxyethyl)methanesulfonamide
CID 20571257
2-methoxy-N-(2,2,2-trifluoroethylsulfanyl)ethanamine
CID 122468276
2-(2-methoxyethoxy)-N-(trifluoromethylsulfanyl)ethanamine
CID 129294913
2-methoxy-N-(4,4,4-trifluorobutylsulfanyl)ethanamine
CID 129302187
Ethane;2-(2,2,2-trifluoroethoxy)ethanamine
CID 143697781
2-(1,1-Difluoroethoxy)ethan-1-amine
CID 147876442
N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine
CID 155122425
1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfinamide
CID 170121334
2-(2,2-Difluoropropoxy)ethanamine
CID 84648385
2,2,2-trifluoro-N-(2-methoxyethylsulfamoyl)ethanamine
CID 114807146
2-(Difluoromethoxy)ethanamine;ethane;methane
CID 145131593
2-(Difluoromethoxy)ethanamine;methane
CID 171818995

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine (CID 129294912) is 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine is COCCNSC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is DPHXSFRXAUSCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NOS/c1-9-3-2-8-10-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine?
2-methoxy-N-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 175.17 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 129294912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).