3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine

C8H14F3NOS — CID 104870909

IUPAC3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c1-13-7-4-6(5-7)12-2-3-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyCPBDVVRVXUJWNJ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.01
Rot. Bonds5

About 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine

3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (PubChem CID 104870909) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
PubChem CID104870909
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESCOC1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C8H14F3NOS/c1-13-7-4-6(5-7)12-2-3-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyCPBDVVRVXUJWNJ-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155138949
3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 103921024
3-methoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 104871835
N-(1,1-difluoropropan-2-yl)-3-methoxycyclobutan-1-amine
CID 105839135
4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 115710772
3-[2-(Trifluoromethylsulfanyl)ethylamino]cyclobutan-1-ol
CID 116615637
3-(3-methylsulfanylpropoxy)-N-propylcyclobutan-1-amine
CID 169934389
N-ethyl-3-(3-methylsulfanylpropoxy)cyclobutan-1-amine
CID 170250840
N-(2-ethylsulfanylethyl)-3-methoxycyclobutan-1-amine
CID 102673015
3-ethoxy-N-(3-ethylsulfanylpropyl)cyclobutan-1-amine
CID 102673439
3-ethoxy-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
CID 102673447
N-(3-ethylsulfanylpropyl)-3-methoxycyclobutan-1-amine
CID 104588025

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (CID 104870909) is 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is COC1CC(NCCSC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The InChIKey is CPBDVVRVXUJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-13-7-4-6(5-7)12-2-3-14-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 104870909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).