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

C9H16F3NOS — CID 103921024

IUPAC3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-2-14-8-5-7(6-8)13-3-4-15-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyKZYUAKBSXYRVLW-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.40
Rot. Bonds6

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

3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (PubChem CID 103921024) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
PubChem CID103921024
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C9H16F3NOS/c1-2-14-8-5-7(6-8)13-3-4-15-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyKZYUAKBSXYRVLW-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66350082
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
CID 66351186
N-propyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66359594
3-(2,2-difluoroethoxy)-N-propylcyclobutan-1-amine
CID 82008859
N-propyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
CID 82794538
N-ethyl-3-(4,4,4-trifluorobutoxy)cyclobutan-1-amine
CID 82794966
N-propyl-3-(3,3,3-trifluoropropoxy)cyclobutan-1-amine
CID 82958468
N-ethyl-3-(3,3,3-trifluoropropoxy)cyclobutan-1-amine
CID 82959028
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103910410
3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 103921020
3-ethoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 104860323
3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 104870909

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (CID 103921024) is 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCSC(F)(F)F)C1.
What is the InChIKey of 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The InChIKey is KZYUAKBSXYRVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-2-14-8-5-7(6-8)13-3-4-15-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine has a molecular weight of 243.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103921024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).