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

C9H16F3NO2 — CID 107470459

IUPAC2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7-8(2,3-5-14-7)13-4-6-15-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyXRKCFUQBGQHCHD-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.68
Rot. Bonds4

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

2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine (PubChem CID 107470459) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
PubChem CID107470459
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1(C)NCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7-8(2,3-5-14-7)13-4-6-15-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyXRKCFUQBGQHCHD-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.68
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 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine (CID 107470459) is 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine is CC1OCCC1(C)NCCOC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
The InChIKey is XRKCFUQBGQHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7-8(2,3-5-14-7)13-4-6-15-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine?
2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine has a molecular weight of 227.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 107470459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).