methyl 4-(3-fluorophenyl)azetidine-2-carboxylate

C11H12FNO2 — CID 105462660

IUPACmethyl 4-(3-fluorophenyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CC(c2cccc(F)c2)N1
InChIInChI=1S/C11H12FNO2/c1-15-11(14)10-6-9(13-10)7-3-2-4-8(12)5-7/h2-5,9-10,13H,6H2,1H3
InChIKeyWBFJBSRVVKOGGC-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.40
Rot. Bonds2

About methyl 4-(3-fluorophenyl)azetidine-2-carboxylate

methyl 4-(3-fluorophenyl)azetidine-2-carboxylate (PubChem CID 105462660) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl 4-(3-fluorophenyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenyl)azetidine-2-carboxylate
PubChem CID105462660
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl 4-(3-fluorophenyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CC(c2cccc(F)c2)N1
InChIInChI=1S/C11H12FNO2/c1-15-11(14)10-6-9(13-10)7-3-2-4-8(12)5-7/h2-5,9-10,13H,6H2,1H3
InChIKeyWBFJBSRVVKOGGC-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
methyl (2R,5S)-5-(3-fluorophenyl)piperidine-2-carboxylate
CID 96530452
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
methyl (2S,3R)-3-(3-fluorophenyl)oxirane-2-carboxylate
CID 95212361
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 102568183
methyl 4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270161
methyl (2S,5R)-5-(3-chlorophenyl)pyrrolidine-2-carboxylate
CID 67256593
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
methyl 5-[3-(trifluoromethyl)phenyl]thiomorpholine-3-carboxylate
CID 65171178

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenyl)azetidine-2-carboxylate?
The IUPAC name of methyl 4-(3-fluorophenyl)azetidine-2-carboxylate (CID 105462660) is methyl 4-(3-fluorophenyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-fluorophenyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 4-(3-fluorophenyl)azetidine-2-carboxylate is COC(=O)C1CC(c2cccc(F)c2)N1.
What is the InChIKey of methyl 4-(3-fluorophenyl)azetidine-2-carboxylate?
The InChIKey is WBFJBSRVVKOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-11(14)10-6-9(13-10)7-3-2-4-8(12)5-7/h2-5,9-10,13H,6H2,1H3.
What are the key properties of methyl 4-(3-fluorophenyl)azetidine-2-carboxylate?
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate has a molecular weight of 209.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenyl)azetidine-2-carboxylate is sourced from PubChem (CID 105462660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).