3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde

C11H12FNO — CID 89172334

IUPAC3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C11H12FNO/c12-11-3-1-2-9(6-11)10-4-5-13(7-10)8-14/h1-3,6,8,10H,4-5,7H2
InChIKeyFYJMDFSLGAEDNU-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.77
Rot. Bonds2

About 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde

3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde (PubChem CID 89172334) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde
PubChem CID89172334
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cccc(F)c2)C1
InChIInChI=1S/C11H12FNO/c12-11-3-1-2-9(6-11)10-4-5-13(7-10)8-14/h1-3,6,8,10H,4-5,7H2
InChIKeyFYJMDFSLGAEDNU-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-fluorophenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde (CID 89172334) is 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde is O=CN1CCC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is FYJMDFSLGAEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-11-3-1-2-9(6-11)10-4-5-13(7-10)8-14/h1-3,6,8,10H,4-5,7H2.
What are the key properties of 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde?
3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 89172334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).