2-[fluoro-(4-methylphenyl)methyl]azetidine

C11H14FN — CID 105438220

IUPAC2-[fluoro-(4-methylphenyl)methyl]azetidine
SMILESCc1ccc(C(F)C2CCN2)cc1
InChIInChI=1S/C11H14FN/c1-8-2-4-9(5-3-8)11(12)10-6-7-13-10/h2-5,10-11,13H,6-7H2,1H3
InChIKeyNTLXWNPBJFRQHG-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.37
Rot. Bonds2

About 2-[fluoro-(4-methylphenyl)methyl]azetidine

2-[fluoro-(4-methylphenyl)methyl]azetidine (PubChem CID 105438220) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-[fluoro-(4-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[fluoro-(4-methylphenyl)methyl]azetidine
PubChem CID105438220
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-[fluoro-(4-methylphenyl)methyl]azetidine
SMILESCc1ccc(C(F)C2CCN2)cc1
InChIInChI=1S/C11H14FN/c1-8-2-4-9(5-3-8)11(12)10-6-7-13-10/h2-5,10-11,13H,6-7H2,1H3
InChIKeyNTLXWNPBJFRQHG-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(4-methylphenyl)methyl]azetidine?
The IUPAC name of 2-[fluoro-(4-methylphenyl)methyl]azetidine (CID 105438220) is 2-[fluoro-(4-methylphenyl)methyl]azetidine.
What is the SMILES notation for 2-[fluoro-(4-methylphenyl)methyl]azetidine?
The canonical SMILES for 2-[fluoro-(4-methylphenyl)methyl]azetidine is Cc1ccc(C(F)C2CCN2)cc1.
What is the InChIKey of 2-[fluoro-(4-methylphenyl)methyl]azetidine?
The InChIKey is NTLXWNPBJFRQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-2-4-9(5-3-8)11(12)10-6-7-13-10/h2-5,10-11,13H,6-7H2,1H3.
What are the key properties of 2-[fluoro-(4-methylphenyl)methyl]azetidine?
2-[fluoro-(4-methylphenyl)methyl]azetidine has a molecular weight of 179.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(4-methylphenyl)methyl]azetidine is sourced from PubChem (CID 105438220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).