2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine

C11H11F4N — CID 154541164

IUPAC2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFc1ccc(C(F)(F)F)cc1CC1CCN1
InChIInChI=1S/C11H11F4N/c12-10-2-1-8(11(13,14)15)5-7(10)6-9-3-4-16-9/h1-2,5,9,16H,3-4,6H2
InChIKeyJWSDROCUESPSHR-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.75
Rot. Bonds2

About 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine

2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine (PubChem CID 154541164) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine.

Molecular Properties

Compound Name2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine
PubChem CID154541164
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFc1ccc(C(F)(F)F)cc1CC1CCN1
InChIInChI=1S/C11H11F4N/c12-10-2-1-8(11(13,14)15)5-7(10)6-9-3-4-16-9/h1-2,5,9,16H,3-4,6H2
InChIKeyJWSDROCUESPSHR-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine?
The IUPAC name of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine (CID 154541164) is 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine.
What is the SMILES notation for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine?
The canonical SMILES for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine is Fc1ccc(C(F)(F)F)cc1CC1CCN1.
What is the InChIKey of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine?
The InChIKey is JWSDROCUESPSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-10-2-1-8(11(13,14)15)5-7(10)6-9-3-4-16-9/h1-2,5,9,16H,3-4,6H2.
What are the key properties of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine?
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine has a molecular weight of 233.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine is sourced from PubChem (CID 154541164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).