2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

C11H20F3NOS — CID 103930669

IUPAC2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCC(C)C1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NOS/c1-8(2)10-7-9(3-5-16-10)15-4-6-17-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyCFPRNGGPXSRYEA-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.03
Rot. Bonds5

About 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (PubChem CID 103930669) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
PubChem CID103930669
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCC(C)C1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NOS/c1-8(2)10-7-9(3-5-16-10)15-4-6-17-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyCFPRNGGPXSRYEA-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.03
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

2-propan-2-yl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102696
2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106491
3-(2,2-difluoroethoxy)-N-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149776
N-(4,4,4-trifluorobutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904017
N-(4,4,4-trifluorobutan-2-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904027
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103910410
2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103920477
8,8-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 103921019
2-(oxan-2-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 105998873
2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
CID 106210670
3-ethoxy-N-[2-(trifluoromethylsulfanyl)ethyl]spiro[3.5]nonan-1-amine
CID 106426821
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 106427274

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (CID 103930669) is 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is CC(C)C1CC(NCCSC(F)(F)F)CCO1.
What is the InChIKey of 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is CFPRNGGPXSRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8(2)10-7-9(3-5-16-10)15-4-6-17-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 103930669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).