2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde

C13H15FO — CID 105458969

IUPAC2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde
SMILESO=CC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C13H15FO/c14-12-7-5-11(6-8-12)13(9-15)10-3-1-2-4-10/h5-10,13H,1-4H2
InChIKeyVEKHOSWFGWMQGX-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.30
Rot. Bonds3

About 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde

2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde (PubChem CID 105458969) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde
PubChem CID105458969
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde
SMILESO=CC(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C13H15FO/c14-12-7-5-11(6-8-12)13(9-15)10-3-1-2-4-10/h5-10,13H,1-4H2
InChIKeyVEKHOSWFGWMQGX-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
2-(4-bromophenyl)-2-cyclobutylacetaldehyde
CID 115047072
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
CID 87324074
2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
CID 12603975
2-phenyl-2-piperidin-4-ylacetaldehyde;hydrochloride
CID 88699147
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde?
The IUPAC name of 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde (CID 105458969) is 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde is O=CC(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde?
The InChIKey is VEKHOSWFGWMQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-12-7-5-11(6-8-12)13(9-15)10-3-1-2-4-10/h5-10,13H,1-4H2.
What are the key properties of 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde?
2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde has a molecular weight of 206.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde is sourced from PubChem (CID 105458969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).