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

C11H18F3NO2 — CID 104510321

IUPAC2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESNC1(CCOCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)7-16-5-3-10(15)4-6-17-9(10)8-1-2-8/h8-9H,1-7,15H2
InChIKeyAWQHATNMICCITC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds5

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

2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (PubChem CID 104510321) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
PubChem CID104510321
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESNC1(CCOCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)7-16-5-3-10(15)4-6-17-9(10)8-1-2-8/h8-9H,1-7,15H2
InChIKeyAWQHATNMICCITC-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-3-[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

Related Compounds

2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
CID 106459238
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 114535331
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106706218
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine
CID 104510293
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (CID 104510321) is 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is NC1(CCOCC(F)(F)F)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The InChIKey is AWQHATNMICCITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)7-16-5-3-10(15)4-6-17-9(10)8-1-2-8/h8-9H,1-7,15H2.
What are the key properties of 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine has a molecular weight of 253.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 104510321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).