benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate

C17H16FNO3 — CID 122586117

IUPACbenzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FNO3/c18-15-8-6-14(7-9-15)17(21)11-19(12-17)16(20)22-10-13-4-2-1-3-5-13/h1-9,21H,10-12H2
InChIKeyGFFRDUOUSMEOKH-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.67
Rot. Bonds3

About benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate

benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate (PubChem CID 122586117) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
PubChem CID122586117
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Namebenzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C17H16FNO3/c18-15-8-6-14(7-9-15)17(21)11-19(12-17)16(20)22-10-13-4-2-1-3-5-13/h1-9,21H,10-12H2
InChIKeyGFFRDUOUSMEOKH-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate (CID 122586117) is benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate?
The InChIKey is GFFRDUOUSMEOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-15-8-6-14(7-9-15)17(21)11-19(12-17)16(20)22-10-13-4-2-1-3-5-13/h1-9,21H,10-12H2.
What are the key properties of benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate?
benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 122586117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).