3-[difluoro-(3-fluorophenyl)methyl]azetidine

C10H10F3N — CID 105453338

IUPAC3-[difluoro-(3-fluorophenyl)methyl]azetidine
SMILESFc1cccc(C(F)(F)C2CNC2)c1
InChIInChI=1S/C10H10F3N/c11-9-3-1-2-7(4-9)10(12,13)8-5-14-6-8/h1-4,8,14H,5-6H2
InChIKeyBQXGXXBTUZYMHU-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.14
Rot. Bonds2

About 3-[difluoro-(3-fluorophenyl)methyl]azetidine

3-[difluoro-(3-fluorophenyl)methyl]azetidine (PubChem CID 105453338) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-[difluoro-(3-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[difluoro-(3-fluorophenyl)methyl]azetidine
PubChem CID105453338
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name3-[difluoro-(3-fluorophenyl)methyl]azetidine
SMILESFc1cccc(C(F)(F)C2CNC2)c1
InChIInChI=1S/C10H10F3N/c11-9-3-1-2-7(4-9)10(12,13)8-5-14-6-8/h1-4,8,14H,5-6H2
InChIKeyBQXGXXBTUZYMHU-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(3-fluorophenyl)methyl]azetidine?
The IUPAC name of 3-[difluoro-(3-fluorophenyl)methyl]azetidine (CID 105453338) is 3-[difluoro-(3-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-[difluoro-(3-fluorophenyl)methyl]azetidine?
The canonical SMILES for 3-[difluoro-(3-fluorophenyl)methyl]azetidine is Fc1cccc(C(F)(F)C2CNC2)c1.
What is the InChIKey of 3-[difluoro-(3-fluorophenyl)methyl]azetidine?
The InChIKey is BQXGXXBTUZYMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-9-3-1-2-7(4-9)10(12,13)8-5-14-6-8/h1-4,8,14H,5-6H2.
What are the key properties of 3-[difluoro-(3-fluorophenyl)methyl]azetidine?
3-[difluoro-(3-fluorophenyl)methyl]azetidine has a molecular weight of 201.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-(3-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 105453338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).