3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde

C11H12FNO — CID 141075151

IUPAC3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde
SMILESCC1(c2ccccc2F)CN(C=O)C1
InChIInChI=1S/C11H12FNO/c1-11(6-13(7-11)8-14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
InChIKeyJXAGSICPIQNAAX-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.56
Rot. Bonds2

About 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde

3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde (PubChem CID 141075151) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde
PubChem CID141075151
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde
SMILESCC1(c2ccccc2F)CN(C=O)C1
InChIInChI=1S/C11H12FNO/c1-11(6-13(7-11)8-14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
InChIKeyJXAGSICPIQNAAX-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde?
The IUPAC name of 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde (CID 141075151) is 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde.
What is the SMILES notation for 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde?
The canonical SMILES for 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde is CC1(c2ccccc2F)CN(C=O)C1.
What is the InChIKey of 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde?
The InChIKey is JXAGSICPIQNAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-11(6-13(7-11)8-14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde?
3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-methylazetidine-1-carbaldehyde is sourced from PubChem (CID 141075151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).