3-[cyclopentyl(fluoro)methyl]benzaldehyde

C13H15FO — CID 115024667

IUPAC3-[cyclopentyl(fluoro)methyl]benzaldehyde
SMILESO=Cc1cccc(C(F)C2CCCC2)c1
InChIInChI=1S/C13H15FO/c14-13(11-5-1-2-6-11)12-7-3-4-10(8-12)9-15/h3-4,7-9,11,13H,1-2,5-6H2
InChIKeyCRZBOMPCXMMECZ-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.70
Rot. Bonds3

About 3-[cyclopentyl(fluoro)methyl]benzaldehyde

3-[cyclopentyl(fluoro)methyl]benzaldehyde (PubChem CID 115024667) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-[cyclopentyl(fluoro)methyl]benzaldehyde.

Molecular Properties

Compound Name3-[cyclopentyl(fluoro)methyl]benzaldehyde
PubChem CID115024667
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name3-[cyclopentyl(fluoro)methyl]benzaldehyde
SMILESO=Cc1cccc(C(F)C2CCCC2)c1
InChIInChI=1S/C13H15FO/c14-13(11-5-1-2-6-11)12-7-3-4-10(8-12)9-15/h3-4,7-9,11,13H,1-2,5-6H2
InChIKeyCRZBOMPCXMMECZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[cyclopentyl(fluoro)methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclobutyl(hydroxy)methyl]benzaldehyde
CID 115018179
3-(1-piperidin-3-ylethyl)benzaldehyde
CID 115030279
3-(1-fluoroethyl)benzaldehyde
CID 83856182
3-(1-fluoro-2-methylpropyl)benzaldehyde
CID 83856184
3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129
2-cyclopropyl-2-(3-formylphenyl)acetamide
CID 90105867
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
4-(1-cyclopentyl-2,2-difluoroethyl)benzaldehyde
CID 115042518
3-(1-bromo-2-oxoethyl)benzaldehyde
CID 174741180
3-(4-oxobutan-2-yl)benzaldehyde
CID 174605673
piperidine;3-propan-2-ylbenzaldehyde
CID 144804603
1-bromo-4-[cyclopentyl(fluoro)methyl]benzene
CID 115047951

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(fluoro)methyl]benzaldehyde?
The IUPAC name of 3-[cyclopentyl(fluoro)methyl]benzaldehyde (CID 115024667) is 3-[cyclopentyl(fluoro)methyl]benzaldehyde.
What is the SMILES notation for 3-[cyclopentyl(fluoro)methyl]benzaldehyde?
The canonical SMILES for 3-[cyclopentyl(fluoro)methyl]benzaldehyde is O=Cc1cccc(C(F)C2CCCC2)c1.
What is the InChIKey of 3-[cyclopentyl(fluoro)methyl]benzaldehyde?
The InChIKey is CRZBOMPCXMMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-13(11-5-1-2-6-11)12-7-3-4-10(8-12)9-15/h3-4,7-9,11,13H,1-2,5-6H2.
What are the key properties of 3-[cyclopentyl(fluoro)methyl]benzaldehyde?
3-[cyclopentyl(fluoro)methyl]benzaldehyde has a molecular weight of 206.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(fluoro)methyl]benzaldehyde is sourced from PubChem (CID 115024667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).