3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde

C11H11F2NO — CID 141075147

IUPAC3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde
SMILESCC1(c2c(F)cccc2F)CN(C=O)C1
InChIInChI=1S/C11H11F2NO/c1-11(5-14(6-11)7-15)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3
InChIKeyCDPFUKGDXQSNSE-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.69
Rot. Bonds2

About 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde

3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde (PubChem CID 141075147) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde
PubChem CID141075147
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde
SMILESCC1(c2c(F)cccc2F)CN(C=O)C1
InChIInChI=1S/C11H11F2NO/c1-11(5-14(6-11)7-15)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3
InChIKeyCDPFUKGDXQSNSE-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.69
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-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde?
The IUPAC name of 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde (CID 141075147) is 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde.
What is the SMILES notation for 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde?
The canonical SMILES for 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde is CC1(c2c(F)cccc2F)CN(C=O)C1.
What is the InChIKey of 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde?
The InChIKey is CDPFUKGDXQSNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-11(5-14(6-11)7-15)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde?
3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde has a molecular weight of 211.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-3-methylazetidine-1-carbaldehyde is sourced from PubChem (CID 141075147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).