3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine

C13H22F3NO — CID 112571371

IUPAC3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine
SMILESFC(F)(F)COCCCC1(C2CCCC2)CNC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-7-3-6-12(8-17-9-12)11-4-1-2-5-11/h11,17H,1-10H2
InChIKeyXOTIQMSGIXWSCQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.13
Rot. Bonds6

About 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine

3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine (PubChem CID 112571371) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine.

Molecular Properties

Compound Name3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine
PubChem CID112571371
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine
SMILESFC(F)(F)COCCCC1(C2CCCC2)CNC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-18-7-3-6-12(8-17-9-12)11-4-1-2-5-11/h11,17H,1-10H2
InChIKeyXOTIQMSGIXWSCQ-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine?
The IUPAC name of 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine (CID 112571371) is 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine.
What is the SMILES notation for 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine?
The canonical SMILES for 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine is FC(F)(F)COCCCC1(C2CCCC2)CNC1.
What is the InChIKey of 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine?
The InChIKey is XOTIQMSGIXWSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-18-7-3-6-12(8-17-9-12)11-4-1-2-5-11/h11,17H,1-10H2.
What are the key properties of 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine?
3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine has a molecular weight of 265.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[3-(2,2,2-trifluoroethoxy)propyl]azetidine is sourced from PubChem (CID 112571371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).