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

C10H18F3NS — CID 103578399

IUPAC3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESCC(C)C1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-7(2)8-5-9(6-8)14-3-4-15-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyVXXFGDCERPTWOH-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.26
Rot. Bonds5

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

3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (PubChem CID 103578399) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
PubChem CID103578399
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
SMILESCC(C)C1CC(NCCSC(F)(F)F)C1
InChIInChI=1S/C10H18F3NS/c1-7(2)8-5-9(6-8)14-3-4-15-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyVXXFGDCERPTWOH-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine (CID 103578399) is 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is CC(C)C1CC(NCCSC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
The InChIKey is VXXFGDCERPTWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-7(2)8-5-9(6-8)14-3-4-15-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine?
3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103578399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).