N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine

C7H12F3NOS — CID 103062932

IUPACN-[2-(trifluoromethoxy)ethyl]thiolan-3-amine
SMILESFC(F)(F)OCCNC1CCSC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)12-3-2-11-6-1-4-13-5-6/h6,11H,1-5H2
InChIKeyIJRFZIVVOUXOMI-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine

N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine (PubChem CID 103062932) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]thiolan-3-amine
PubChem CID103062932
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC NameN-[2-(trifluoromethoxy)ethyl]thiolan-3-amine
SMILESFC(F)(F)OCCNC1CCSC1
InChIInChI=1S/C7H12F3NOS/c8-7(9,10)12-3-2-11-6-1-4-13-5-6/h6,11H,1-5H2
InChIKeyIJRFZIVVOUXOMI-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.62
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 N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine (CID 103062932) is N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine is FC(F)(F)OCCNC1CCSC1.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine?
The InChIKey is IJRFZIVVOUXOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c8-7(9,10)12-3-2-11-6-1-4-13-5-6/h6,11H,1-5H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine?
N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine has a molecular weight of 215.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 103062932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).