3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid

C11H10FNO4 — CID 71282833

IUPAC3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cc2)COC1
InChIInChI=1S/C11H10FNO4/c12-7-1-3-8(4-2-7)13-9(14)11(10(15)16)5-17-6-11/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyCNWQJJHNCMHRFZ-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.87
Rot. Bonds3

About 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid

3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid (PubChem CID 71282833) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
PubChem CID71282833
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cc2)COC1
InChIInChI=1S/C11H10FNO4/c12-7-1-3-8(4-2-7)13-9(14)11(10(15)16)5-17-6-11/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyCNWQJJHNCMHRFZ-UHFFFAOYSA-N
XLogP0.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
3-[(4-fluorophenyl)methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184975
3-(1H-pyrrol-3-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184907
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
3-(3H-benzimidazol-5-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184912
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
3-[(4-fluorophenyl)-methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184938
3-[(2,3,4-trimethylphenyl)carbamoyl]oxetane-3-carboxylic acid
CID 115184921

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid (CID 71282833) is 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc(F)cc2)COC1.
What is the InChIKey of 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid?
The InChIKey is CNWQJJHNCMHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-7-1-3-8(4-2-7)13-9(14)11(10(15)16)5-17-6-11/h1-4H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid?
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid has a molecular weight of 239.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 71282833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).