3-fluoro-1-methyl-3-phenylazetidine

C10H12FN — CID 126996744

IUPAC3-fluoro-1-methyl-3-phenylazetidine
SMILESCN1CC(F)(c2ccccc2)C1
InChIInChI=1S/C10H12FN/c1-12-7-10(11,8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyWTWJNKOYHFJODX-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.80
Rot. Bonds1

About 3-fluoro-1-methyl-3-phenylazetidine

3-fluoro-1-methyl-3-phenylazetidine (PubChem CID 126996744) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-phenylazetidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-phenylazetidine
PubChem CID126996744
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-fluoro-1-methyl-3-phenylazetidine
SMILESCN1CC(F)(c2ccccc2)C1
InChIInChI=1S/C10H12FN/c1-12-7-10(11,8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyWTWJNKOYHFJODX-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-phenylazetidine?
The IUPAC name of 3-fluoro-1-methyl-3-phenylazetidine (CID 126996744) is 3-fluoro-1-methyl-3-phenylazetidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-phenylazetidine?
The canonical SMILES for 3-fluoro-1-methyl-3-phenylazetidine is CN1CC(F)(c2ccccc2)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-phenylazetidine?
The InChIKey is WTWJNKOYHFJODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-12-7-10(11,8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-fluoro-1-methyl-3-phenylazetidine?
3-fluoro-1-methyl-3-phenylazetidine has a molecular weight of 165.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-phenylazetidine is sourced from PubChem (CID 126996744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).