5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde

C15H14FNO2 — CID 169334507

IUPAC5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2N2CCCC2)o1
InChIInChI=1S/C15H14FNO2/c16-11-3-5-14(17-7-1-2-8-17)13(9-11)15-6-4-12(10-18)19-15/h3-6,9-10H,1-2,7-8H2
InChIKeyCRXXDXFQBHFZPI-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.50
Rot. Bonds3

About 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde

5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde (PubChem CID 169334507) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
PubChem CID169334507
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2N2CCCC2)o1
InChIInChI=1S/C15H14FNO2/c16-11-3-5-14(17-7-1-2-8-17)13(9-11)15-6-4-12(10-18)19-15/h3-6,9-10H,1-2,7-8H2
InChIKeyCRXXDXFQBHFZPI-UHFFFAOYSA-N
XLogP3.50
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoro-2-piperidin-1-ylphenyl)furan-2-carbaldehyde
CID 169335017
5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
CID 169334022
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]furan-2-carbaldehyde
CID 169334696
5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
CID 117407236
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 169332555
5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169334804
1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
CID 169335732
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
CID 167044569
5-(2-pyrrolidin-1-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169332423
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde (CID 169334507) is 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(F)ccc2N2CCCC2)o1.
What is the InChIKey of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde?
The InChIKey is CRXXDXFQBHFZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-11-3-5-14(17-7-1-2-8-17)13(9-11)15-6-4-12(10-18)19-15/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde?
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde has a molecular weight of 259.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).