1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine

C10H18F3NS — CID 103778092

IUPAC1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-8(7-9-3-2-4-9)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyLKBYKBCJYIENFU-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds6

About 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine

1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine (PubChem CID 103778092) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
PubChem CID103778092
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-8(7-9-3-2-4-9)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyLKBYKBCJYIENFU-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
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 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine (CID 103778092) is 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine is CC(CC1CCC1)NCCSC(F)(F)F.
What is the InChIKey of 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
The InChIKey is LKBYKBCJYIENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-8(7-9-3-2-4-9)14-5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine?
1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine is sourced from PubChem (CID 103778092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).