2-[difluoro(phenyl)methyl]azetidine

C10H11F2N — CID 105440437

IUPAC2-[difluoro(phenyl)methyl]azetidine
SMILESFC(F)(c1ccccc1)C1CCN1
InChIInChI=1S/C10H11F2N/c11-10(12,9-6-7-13-9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2
InChIKeyAIFKBBWUTBBBBX-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.14
Rot. Bonds2

About 2-[difluoro(phenyl)methyl]azetidine

2-[difluoro(phenyl)methyl]azetidine (PubChem CID 105440437) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2-[difluoro(phenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[difluoro(phenyl)methyl]azetidine
PubChem CID105440437
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2-[difluoro(phenyl)methyl]azetidine
SMILESFC(F)(c1ccccc1)C1CCN1
InChIInChI=1S/C10H11F2N/c11-10(12,9-6-7-13-9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2
InChIKeyAIFKBBWUTBBBBX-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phenyl)methyl]azetidine?
The IUPAC name of 2-[difluoro(phenyl)methyl]azetidine (CID 105440437) is 2-[difluoro(phenyl)methyl]azetidine.
What is the SMILES notation for 2-[difluoro(phenyl)methyl]azetidine?
The canonical SMILES for 2-[difluoro(phenyl)methyl]azetidine is FC(F)(c1ccccc1)C1CCN1.
What is the InChIKey of 2-[difluoro(phenyl)methyl]azetidine?
The InChIKey is AIFKBBWUTBBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c11-10(12,9-6-7-13-9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2.
What are the key properties of 2-[difluoro(phenyl)methyl]azetidine?
2-[difluoro(phenyl)methyl]azetidine has a molecular weight of 183.20 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 2-[difluoro(phenyl)methyl]azetidine is sourced from PubChem (CID 105440437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).