4-[1-(fluoromethyl)cyclopentyl]benzaldehyde

C13H15FO — CID 84722310

IUPAC4-[1-(fluoromethyl)cyclopentyl]benzaldehyde
SMILESO=Cc1ccc(C2(CF)CCCC2)cc1
InChIInChI=1S/C13H15FO/c14-10-13(7-1-2-8-13)12-5-3-11(9-15)4-6-12/h3-6,9H,1-2,7-8,10H2
InChIKeyBEYCYFLYPSTBFS-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.28
Rot. Bonds3

About 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde

4-[1-(fluoromethyl)cyclopentyl]benzaldehyde (PubChem CID 84722310) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde.

Molecular Properties

Compound Name4-[1-(fluoromethyl)cyclopentyl]benzaldehyde
PubChem CID84722310
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name4-[1-(fluoromethyl)cyclopentyl]benzaldehyde
SMILESO=Cc1ccc(C2(CF)CCCC2)cc1
InChIInChI=1S/C13H15FO/c14-10-13(7-1-2-8-13)12-5-3-11(9-15)4-6-12/h3-6,9H,1-2,7-8,10H2
InChIKeyBEYCYFLYPSTBFS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde?
The IUPAC name of 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde (CID 84722310) is 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde.
What is the SMILES notation for 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde?
The canonical SMILES for 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde is O=Cc1ccc(C2(CF)CCCC2)cc1.
What is the InChIKey of 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde?
The InChIKey is BEYCYFLYPSTBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-10-13(7-1-2-8-13)12-5-3-11(9-15)4-6-12/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde?
4-[1-(fluoromethyl)cyclopentyl]benzaldehyde has a molecular weight of 206.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(fluoromethyl)cyclopentyl]benzaldehyde is sourced from PubChem (CID 84722310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).