2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine

C11H20F3NOS — CID 113260356

IUPAC2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
SMILESCC1(C)CC(NCCSC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C11H20F3NOS/c1-9(2)7-8(10(3,4)16-9)15-5-6-17-11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyQDVPCUHTZHRQEY-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.18
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine (PubChem CID 113260356) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
PubChem CID113260356
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine
SMILESCC1(C)CC(NCCSC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C11H20F3NOS/c1-9(2)7-8(10(3,4)16-9)15-5-6-17-11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyQDVPCUHTZHRQEY-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.18
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 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine (CID 113260356) is 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine is CC1(C)CC(NCCSC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
The InChIKey is QDVPCUHTZHRQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-9(2)7-8(10(3,4)16-9)15-5-6-17-11(12,13)14/h8,15H,5-7H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine has a molecular weight of 271.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 113260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).