benzyl 3-fluoro-3-formylazetidine-1-carboxylate

C12H12FNO3 — CID 105498785

IUPACbenzyl 3-fluoro-3-formylazetidine-1-carboxylate
SMILESO=CC1(F)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C12H12FNO3/c13-12(9-15)7-14(8-12)11(16)17-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyHUNJHHDOXCRPDL-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.55
Rot. Bonds3

About benzyl 3-fluoro-3-formylazetidine-1-carboxylate

benzyl 3-fluoro-3-formylazetidine-1-carboxylate (PubChem CID 105498785) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is benzyl 3-fluoro-3-formylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-fluoro-3-formylazetidine-1-carboxylate
PubChem CID105498785
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Namebenzyl 3-fluoro-3-formylazetidine-1-carboxylate
SMILESO=CC1(F)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C12H12FNO3/c13-12(9-15)7-14(8-12)11(16)17-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyHUNJHHDOXCRPDL-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2-fluoro-2-formylmorpholine-4-carboxylate
CID 137422513
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171
benzyl aziridine-1-carboxylate;silane
CID 158496499
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 3,3-difluoro-6-azaspiro[3.4]octane-6-carboxylate
CID 155144869
benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 135393291
benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 130138481

Frequently Asked Questions

What is the IUPAC name of benzyl 3-fluoro-3-formylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-fluoro-3-formylazetidine-1-carboxylate (CID 105498785) is benzyl 3-fluoro-3-formylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-fluoro-3-formylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-fluoro-3-formylazetidine-1-carboxylate is O=CC1(F)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-fluoro-3-formylazetidine-1-carboxylate?
The InChIKey is HUNJHHDOXCRPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-12(9-15)7-14(8-12)11(16)17-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2.
What are the key properties of benzyl 3-fluoro-3-formylazetidine-1-carboxylate?
benzyl 3-fluoro-3-formylazetidine-1-carboxylate has a molecular weight of 237.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-fluoro-3-formylazetidine-1-carboxylate is sourced from PubChem (CID 105498785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).