3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde

C11H10FNO2 — CID 4165533

IUPAC3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C11H10FNO2/c12-9-6-8(7-14)3-4-10(9)13-5-1-2-11(13)15/h3-4,6-7H,1-2,5H2
InChIKeyAVUFAAVLFNROTN-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.76
Rot. Bonds2

About 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde

3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde (PubChem CID 4165533) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
PubChem CID4165533
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCCC2=O)c(F)c1
InChIInChI=1S/C11H10FNO2/c12-9-6-8(7-14)3-4-10(9)13-5-1-2-11(13)15/h3-4,6-7H,1-2,5H2
InChIKeyAVUFAAVLFNROTN-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde?
The IUPAC name of 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde (CID 4165533) is 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde is O=Cc1ccc(N2CCCC2=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde?
The InChIKey is AVUFAAVLFNROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-9-6-8(7-14)3-4-10(9)13-5-1-2-11(13)15/h3-4,6-7H,1-2,5H2.
What are the key properties of 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde?
3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde has a molecular weight of 207.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde is sourced from PubChem (CID 4165533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).