2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

C10H18F3NOS — CID 103920477

IUPAC2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCC1CC(NCCSC(F)(F)F)CC(C)O1
InChIInChI=1S/C10H18F3NOS/c1-7-5-9(6-8(2)15-7)14-3-4-16-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyWPKXQOWTMNFNFK-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.79
Rot. Bonds4

About 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (PubChem CID 103920477) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
PubChem CID103920477
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCC1CC(NCCSC(F)(F)F)CC(C)O1
InChIInChI=1S/C10H18F3NOS/c1-7-5-9(6-8(2)15-7)14-3-4-16-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyWPKXQOWTMNFNFK-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (CID 103920477) is 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is CC1CC(NCCSC(F)(F)F)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is WPKXQOWTMNFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-7-5-9(6-8(2)15-7)14-3-4-16-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 257.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 103920477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).