3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine

C10H9F4NO — CID 102747182

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine
SMILESFc1ccc(OC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C10H9F4NO/c11-9-2-1-6(16-7-4-15-5-7)3-8(9)10(12,13)14/h1-3,7,15H,4-5H2
InChIKeyNVEKRBBBHTYNMU-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.20
Rot. Bonds2

About 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine

3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine (PubChem CID 102747182) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine
PubChem CID102747182
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine
SMILESFc1ccc(OC2CNC2)cc1C(F)(F)F
InChIInChI=1S/C10H9F4NO/c11-9-2-1-6(16-7-4-15-5-7)3-8(9)10(12,13)14/h1-3,7,15H,4-5H2
InChIKeyNVEKRBBBHTYNMU-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine (CID 102747182) is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine is Fc1ccc(OC2CNC2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine?
The InChIKey is NVEKRBBBHTYNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c11-9-2-1-6(16-7-4-15-5-7)3-8(9)10(12,13)14/h1-3,7,15H,4-5H2.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine?
3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine has a molecular weight of 235.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]azetidine is sourced from PubChem (CID 102747182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).