16-cyclohexyloxy-2-(fluoromethyl)hexadecanal

C23H43FO2 — CID 91124045

IUPAC16-cyclohexyloxy-2-(fluoromethyl)hexadecanal
SMILESO=CC(CF)CCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C23H43FO2/c24-20-22(21-25)16-12-9-7-5-3-1-2-4-6-8-10-15-19-26-23-17-13-11-14-18-23/h21-23H,1-20H2
InChIKeyBUTKKWIYLJJOSY-UHFFFAOYSA-N
MW370.59 g/mol
LogP7.19
Rot. Bonds18

About 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal

16-cyclohexyloxy-2-(fluoromethyl)hexadecanal (PubChem CID 91124045) has the molecular formula C23H43FO2 and a molecular weight of 370.59 g/mol. Its IUPAC name is 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal.

Molecular Properties

Compound Name16-cyclohexyloxy-2-(fluoromethyl)hexadecanal
PubChem CID91124045
Molecular FormulaC23H43FO2
Molecular Weight370.59 g/mol
Exact Mass370.32
IUPAC Name16-cyclohexyloxy-2-(fluoromethyl)hexadecanal
SMILESO=CC(CF)CCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C23H43FO2/c24-20-22(21-25)16-12-9-7-5-3-1-2-4-6-8-10-15-19-26-23-17-13-11-14-18-23/h21-23H,1-20H2
InChIKeyBUTKKWIYLJJOSY-UHFFFAOYSA-N
XLogP7.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal?
The IUPAC name of 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal (CID 91124045) is 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal.
What is the SMILES notation for 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal?
The canonical SMILES for 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal is O=CC(CF)CCCCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal?
The InChIKey is BUTKKWIYLJJOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43FO2/c24-20-22(21-25)16-12-9-7-5-3-1-2-4-6-8-10-15-19-26-23-17-13-11-14-18-23/h21-23H,1-20H2.
What are the key properties of 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal?
16-cyclohexyloxy-2-(fluoromethyl)hexadecanal has a molecular weight of 370.59 g/mol, XLogP of 7.19, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-cyclohexyloxy-2-(fluoromethyl)hexadecanal is sourced from PubChem (CID 91124045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).