2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine

C8H14F3NO2 — CID 82726284

IUPAC2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCOC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyIZQNMEFGIUPXDF-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.29
Rot. Bonds4

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

2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine (PubChem CID 82726284) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
PubChem CID82726284
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1NCCOC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyIZQNMEFGIUPXDF-UHFFFAOYSA-N
XLogP1.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.29
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-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine (CID 82726284) is 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine is CC1OCCC1NCCOC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
The InChIKey is IZQNMEFGIUPXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6-7(2-4-13-6)12-3-5-14-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine has a molecular weight of 213.20 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 82726284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).