2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

C11H18F3NO2 — CID 103580943

IUPAC2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESFC(F)(F)COCCNC1CCOC1C1CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)7-16-6-4-15-9-3-5-17-10(9)8-1-2-8/h8-10,15H,1-7H2
InChIKeyHTMBEQGRJBAEKF-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.72
Rot. Bonds6

About 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (PubChem CID 103580943) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
PubChem CID103580943
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESFC(F)(F)COCCNC1CCOC1C1CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)7-16-6-4-15-9-3-5-17-10(9)8-1-2-8/h8-10,15H,1-7H2
InChIKeyHTMBEQGRJBAEKF-UHFFFAOYSA-N
XLogP1.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]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 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (CID 103580943) is 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is FC(F)(F)COCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The InChIKey is HTMBEQGRJBAEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)7-16-6-4-15-9-3-5-17-10(9)8-1-2-8/h8-10,15H,1-7H2.
What are the key properties of 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine has a molecular weight of 253.26 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 103580943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).