3-[4-(trifluoromethyl)phenyl]azetidine

C10H10F3N — CID 22605411

IUPAC3-[4-(trifluoromethyl)phenyl]azetidine
SMILESFC(F)(F)c1ccc(C2CNC2)cc1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8/h1-4,8,14H,5-6H2
InChIKeyMCYMKGBNIMSIQE-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.39
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]azetidine

3-[4-(trifluoromethyl)phenyl]azetidine (PubChem CID 22605411) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]azetidine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]azetidine
PubChem CID22605411
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name3-[4-(trifluoromethyl)phenyl]azetidine
SMILESFC(F)(F)c1ccc(C2CNC2)cc1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8/h1-4,8,14H,5-6H2
InChIKeyMCYMKGBNIMSIQE-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]azetidine?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]azetidine (CID 22605411) is 3-[4-(trifluoromethyl)phenyl]azetidine.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]azetidine?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]azetidine is FC(F)(F)c1ccc(C2CNC2)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]azetidine?
The InChIKey is MCYMKGBNIMSIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-6-8/h1-4,8,14H,5-6H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]azetidine?
3-[4-(trifluoromethyl)phenyl]azetidine has a molecular weight of 201.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]azetidine is sourced from PubChem (CID 22605411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).