2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine

C10H9F4N — CID 79016148

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
SMILESFc1ccc(C2CCN2)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N/c11-6-1-2-7(9-3-4-15-9)8(5-6)10(12,13)14/h1-2,5,9,15H,3-4H2
InChIKeyZIWLUGGEASUVJB-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.88
Rot. Bonds1

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine

2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine (PubChem CID 79016148) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
PubChem CID79016148
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
SMILESFc1ccc(C2CCN2)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F4N/c11-6-1-2-7(9-3-4-15-9)8(5-6)10(12,13)14/h1-2,5,9,15H,3-4H2
InChIKeyZIWLUGGEASUVJB-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine (CID 79016148) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine is Fc1ccc(C2CCN2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine?
The InChIKey is ZIWLUGGEASUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N/c11-6-1-2-7(9-3-4-15-9)8(5-6)10(12,13)14/h1-2,5,9,15H,3-4H2.
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine?
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine has a molecular weight of 219.18 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine is sourced from PubChem (CID 79016148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).