1-[3-(trifluoromethoxy)propyl]azetidine

C7H12F3NO — CID 154073935

IUPAC1-[3-(trifluoromethoxy)propyl]azetidine
SMILESFC(F)(F)OCCCN1CCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-2-5-11-3-1-4-11/h1-6H2
InChIKeyGASWRAVGNVTMGA-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.62
Rot. Bonds4

About 1-[3-(trifluoromethoxy)propyl]azetidine

1-[3-(trifluoromethoxy)propyl]azetidine (PubChem CID 154073935) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)propyl]azetidine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)propyl]azetidine
PubChem CID154073935
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-[3-(trifluoromethoxy)propyl]azetidine
SMILESFC(F)(F)OCCCN1CCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)12-6-2-5-11-3-1-4-11/h1-6H2
InChIKeyGASWRAVGNVTMGA-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-Difluoroazetidin-1-yl)propan-1-ol
CID 89581923
N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
CID 121359017
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
1-(Ethoxymethyl)-3,3-difluoroazetidine
CID 123800437
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319
3-Fluoro-1-(3-methoxypropyl)azetidine
CID 130270363
2-(3,3-Difluoroazetidin-1-yl)ethyl hypoiodite
CID 137445461
3-Fluoro-1-(3-sulfanyloxypropyl)azetidine
CID 138616831
1-Methyl-3-(trifluoromethoxymethyl)azetidine
CID 153582787
1-Ethyl-3-(trifluoromethoxymethyl)azetidine
CID 153582837
3-Fluoro-3-(methoxymethyl)-1-methylazetidine
CID 156575155
3,3-Difluoro-1-methylazetidine;methoxyethane;hydroiodide
CID 166533168

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)propyl]azetidine?
The IUPAC name of 1-[3-(trifluoromethoxy)propyl]azetidine (CID 154073935) is 1-[3-(trifluoromethoxy)propyl]azetidine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)propyl]azetidine?
The canonical SMILES for 1-[3-(trifluoromethoxy)propyl]azetidine is FC(F)(F)OCCCN1CCC1.
What is the InChIKey of 1-[3-(trifluoromethoxy)propyl]azetidine?
The InChIKey is GASWRAVGNVTMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)12-6-2-5-11-3-1-4-11/h1-6H2.
What are the key properties of 1-[3-(trifluoromethoxy)propyl]azetidine?
1-[3-(trifluoromethoxy)propyl]azetidine has a molecular weight of 183.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)propyl]azetidine is sourced from PubChem (CID 154073935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).