5-fluoro-2-pyrrolidin-3-ylbenzaldehyde

C11H12FNO — CID 117283556

IUPAC5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
SMILESO=Cc1cc(F)ccc1C1CCNC1
InChIInChI=1S/C11H12FNO/c12-10-1-2-11(9(5-10)7-14)8-3-4-13-6-8/h1-2,5,7-8,13H,3-4,6H2
InChIKeyUVGGBASGCCKMBH-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.72
Rot. Bonds2

About 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde

5-fluoro-2-pyrrolidin-3-ylbenzaldehyde (PubChem CID 117283556) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
PubChem CID117283556
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
SMILESO=Cc1cc(F)ccc1C1CCNC1
InChIInChI=1S/C11H12FNO/c12-10-1-2-11(9(5-10)7-14)8-3-4-13-6-8/h1-2,5,7-8,13H,3-4,6H2
InChIKeyUVGGBASGCCKMBH-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine
CID 171510254
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
5-(3-fluorophenyl)sulfonyl-2-pyrrolidin-3-ylphenol
CID 24984171

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde?
The IUPAC name of 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde (CID 117283556) is 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde.
What is the SMILES notation for 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde?
The canonical SMILES for 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde is O=Cc1cc(F)ccc1C1CCNC1.
What is the InChIKey of 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde?
The InChIKey is UVGGBASGCCKMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-1-2-11(9(5-10)7-14)8-3-4-13-6-8/h1-2,5,7-8,13H,3-4,6H2.
What are the key properties of 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde?
5-fluoro-2-pyrrolidin-3-ylbenzaldehyde has a molecular weight of 193.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrrolidin-3-ylbenzaldehyde is sourced from PubChem (CID 117283556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).