4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine

C13H16F3NO3 — CID 90212691

IUPAC4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine
SMILESCc1cc(COC2COCC2N)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-8-2-9(4-10(3-8)20-13(14,15)16)5-19-12-7-18-6-11(12)17/h2-4,11-12H,5-7,17H2,1H3
InChIKeyLJPWXZQSWMCVTP-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.14
Rot. Bonds4

About 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine

4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine (PubChem CID 90212691) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine.

Molecular Properties

Compound Name4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine
PubChem CID90212691
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine
SMILESCc1cc(COC2COCC2N)cc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-8-2-9(4-10(3-8)20-13(14,15)16)5-19-12-7-18-6-11(12)17/h2-4,11-12H,5-7,17H2,1H3
InChIKeyLJPWXZQSWMCVTP-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine?
The IUPAC name of 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine (CID 90212691) is 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine.
What is the SMILES notation for 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine?
The canonical SMILES for 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine is Cc1cc(COC2COCC2N)cc(OC(F)(F)F)c1.
What is the InChIKey of 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine?
The InChIKey is LJPWXZQSWMCVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-8-2-9(4-10(3-8)20-13(14,15)16)5-19-12-7-18-6-11(12)17/h2-4,11-12H,5-7,17H2,1H3.
What are the key properties of 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine?
4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine has a molecular weight of 291.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-5-(trifluoromethoxy)phenyl]methoxy]oxolan-3-amine is sourced from PubChem (CID 90212691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).