tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate

C10H16F3NO3 — CID 71258444

IUPACtert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-9(2,3)17-8(15)14-4-7(5-14)16-6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyKRVPCKHXIVGJII-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate

tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate (PubChem CID 71258444) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
PubChem CID71258444
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nametert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-9(2,3)17-8(15)14-4-7(5-14)16-6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyKRVPCKHXIVGJII-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate 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

tert-Butyl 3-methoxyazetidine-1-carboxylate
CID 22243050
Tert-butyl 2-(difluoromethyl)morpholine-4-carboxylate
CID 68848269
[2-(2-Fluoro-ethoxy)-ethyl]-methyl-carbamic acid tert-butyl ester
CID 86657900
tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
CID 86679272
Tert-butyl 3-(difluoromethoxy)azetidine-1-carboxylate
CID 90288988
Tert-butyl 3-(2,2-difluoroethoxy)azetidine-1-carboxylate
CID 90289272
Tert-butyl 3-(3,3,3-trifluoropropoxymethyl)azetidine-1-carboxylate
CID 118481528
Tert-butyl 2-(trifluoromethyl)morpholine-4-carboxylate
CID 119106367
Tert-butyl 3-(difluoromethoxymethyl)azetidine-1-carboxylate
CID 122487527
Tert-butyl 2-(difluoromethoxymethyl)azetidine-1-carboxylate
CID 122487529
Propan-2-yl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 123161717
Tert-butyl 3-ethoxy-3-(trifluoromethyl)azetidine-1-carboxylate
CID 132088050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate (CID 71258444) is tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate?
The InChIKey is KRVPCKHXIVGJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(2,3)17-8(15)14-4-7(5-14)16-6-10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate?
tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate is sourced from PubChem (CID 71258444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).