4-[(1-fluorocyclopentyl)methyl]benzaldehyde

C13H15FO — CID 84722284

IUPAC4-[(1-fluorocyclopentyl)methyl]benzaldehyde
SMILESO=Cc1ccc(CC2(F)CCCC2)cc1
InChIInChI=1S/C13H15FO/c14-13(7-1-2-8-13)9-11-3-5-12(10-15)6-4-11/h3-6,10H,1-2,7-9H2
InChIKeyPCNQYXDMJIVBEF-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.32
Rot. Bonds3

About 4-[(1-fluorocyclopentyl)methyl]benzaldehyde

4-[(1-fluorocyclopentyl)methyl]benzaldehyde (PubChem CID 84722284) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-[(1-fluorocyclopentyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(1-fluorocyclopentyl)methyl]benzaldehyde
PubChem CID84722284
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name4-[(1-fluorocyclopentyl)methyl]benzaldehyde
SMILESO=Cc1ccc(CC2(F)CCCC2)cc1
InChIInChI=1S/C13H15FO/c14-13(7-1-2-8-13)9-11-3-5-12(10-15)6-4-11/h3-6,10H,1-2,7-9H2
InChIKeyPCNQYXDMJIVBEF-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
1-bromo-4-[(1-fluorocyclohexyl)methyl]benzene
CID 84730092
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
4-[(1-fluorocyclobutyl)methyl]benzoic acid
CID 84722629
4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
4-[(3-hydroxypiperidin-3-yl)methyl]benzaldehyde
CID 105474116
2-[4-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727142
4-[1-(fluoromethyl)cyclopentyl]benzaldehyde
CID 84722310
4-[(1-fluorocyclopropyl)methyl]aniline
CID 84717040
4-(2,2-difluorocyclohexyl)benzaldehyde
CID 83856169

Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluorocyclopentyl)methyl]benzaldehyde?
The IUPAC name of 4-[(1-fluorocyclopentyl)methyl]benzaldehyde (CID 84722284) is 4-[(1-fluorocyclopentyl)methyl]benzaldehyde.
What is the SMILES notation for 4-[(1-fluorocyclopentyl)methyl]benzaldehyde?
The canonical SMILES for 4-[(1-fluorocyclopentyl)methyl]benzaldehyde is O=Cc1ccc(CC2(F)CCCC2)cc1.
What is the InChIKey of 4-[(1-fluorocyclopentyl)methyl]benzaldehyde?
The InChIKey is PCNQYXDMJIVBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-13(7-1-2-8-13)9-11-3-5-12(10-15)6-4-11/h3-6,10H,1-2,7-9H2.
What are the key properties of 4-[(1-fluorocyclopentyl)methyl]benzaldehyde?
4-[(1-fluorocyclopentyl)methyl]benzaldehyde has a molecular weight of 206.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluorocyclopentyl)methyl]benzaldehyde is sourced from PubChem (CID 84722284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).