N-methoxy-2-(trifluoromethylsulfanyl)ethanamine

C4H8F3NOS — CID 116615600

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

About N-methoxy-2-(trifluoromethylsulfanyl)ethanamine

N-methoxy-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 116615600) has the molecular formula C4H8F3NOS and a molecular weight of 175.17 g/mol. Its IUPAC name is N-methoxy-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methoxy-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID116615600
Molecular FormulaC4H8F3NOS
Molecular Weight175.17 g/mol
Exact Mass175.03
IUPAC NameN-methoxy-2-(trifluoromethylsulfanyl)ethanamine
SMILESCONCCSC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c1-9-8-2-3-10-4(5,6)7/h8H,2-3H2,1H3
InChIKeyAJTKPGQBGGHRCX-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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethoxyhexane-1,6-diamine
CID 58288617
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
methyl 2-[2-(trifluoromethylsulfanyl)ethylamino]propanoate
CID 116615466
1-chloro-3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 106180697
2-(trifluoromethylsulfanyl)ethylthiourea
CID 106427135
N-[2-(trifluoromethylsulfanyl)ethyl]pentan-3-amine
CID 115710768
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
CID 119727737
methyl 2-hydroxy-2-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoate
CID 106429028
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 114616982
2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]acetic acid
CID 104767653
N-methoxydodecan-1-amine
CID 14131600
2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106426795

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-methoxy-2-(trifluoromethylsulfanyl)ethanamine (CID 116615600) is N-methoxy-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-methoxy-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-methoxy-2-(trifluoromethylsulfanyl)ethanamine is CONCCSC(F)(F)F.
What is the InChIKey of N-methoxy-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is AJTKPGQBGGHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NOS/c1-9-8-2-3-10-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-methoxy-2-(trifluoromethylsulfanyl)ethanamine?
N-methoxy-2-(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 N-methoxy-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 116615600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).