1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde

C14H20FNOSi — CID 88873597

IUPAC1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde
SMILESC[Si](C)(C)c1ccc(CN2CC(C=O)C2)cc1F
InChIInChI=1S/C14H20FNOSi/c1-18(2,3)14-5-4-11(6-13(14)15)7-16-8-12(9-16)10-17/h4-6,10,12H,7-9H2,1-3H3
InChIKeyLGLAPQAGXHRIAD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.00
Rot. Bonds4

About 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde

1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde (PubChem CID 88873597) has the molecular formula C14H20FNOSi and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde
PubChem CID88873597
Molecular FormulaC14H20FNOSi
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde
SMILESC[Si](C)(C)c1ccc(CN2CC(C=O)C2)cc1F
InChIInChI=1S/C14H20FNOSi/c1-18(2,3)14-5-4-11(6-13(14)15)7-16-8-12(9-16)10-17/h4-6,10,12H,7-9H2,1-3H3
InChIKeyLGLAPQAGXHRIAD-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethynyl-3-fluorophenyl)methyl]azetidine-3-carbaldehyde
CID 88563041
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
1-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62655732
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667782
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
1-[[3-[2-[1-(3,5-dichlorophenyl)cyclohexyl]ethyl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methyl]azetidine-3-carbaldehyde
CID 139499978

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde?
The IUPAC name of 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde (CID 88873597) is 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde.
What is the SMILES notation for 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde?
The canonical SMILES for 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde is C[Si](C)(C)c1ccc(CN2CC(C=O)C2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde?
The InChIKey is LGLAPQAGXHRIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOSi/c1-18(2,3)14-5-4-11(6-13(14)15)7-16-8-12(9-16)10-17/h4-6,10,12H,7-9H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde?
1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde has a molecular weight of 265.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-trimethylsilylphenyl)methyl]azetidine-3-carbaldehyde is sourced from PubChem (CID 88873597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).