12-cyclohexyloxy-2-(fluoromethyl)dodecanal

C19H35FO2 — CID 91086959

IUPAC12-cyclohexyloxy-2-(fluoromethyl)dodecanal
SMILESO=CC(CF)CCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C19H35FO2/c20-16-18(17-21)12-8-5-3-1-2-4-6-11-15-22-19-13-9-7-10-14-19/h17-19H,1-16H2
InChIKeyCVZJDYRJWHWFOV-UHFFFAOYSA-N
MW314.49 g/mol
LogP5.63
Rot. Bonds14

About 12-cyclohexyloxy-2-(fluoromethyl)dodecanal

12-cyclohexyloxy-2-(fluoromethyl)dodecanal (PubChem CID 91086959) has the molecular formula C19H35FO2 and a molecular weight of 314.49 g/mol. Its IUPAC name is 12-cyclohexyloxy-2-(fluoromethyl)dodecanal.

Molecular Properties

Compound Name12-cyclohexyloxy-2-(fluoromethyl)dodecanal
PubChem CID91086959
Molecular FormulaC19H35FO2
Molecular Weight314.49 g/mol
Exact Mass314.26
IUPAC Name12-cyclohexyloxy-2-(fluoromethyl)dodecanal
SMILESO=CC(CF)CCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C19H35FO2/c20-16-18(17-21)12-8-5-3-1-2-4-6-11-15-22-19-13-9-7-10-14-19/h17-19H,1-16H2
InChIKeyCVZJDYRJWHWFOV-UHFFFAOYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 55.63
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 12-cyclohexyloxy-2-(fluoromethyl)dodecanal?
The IUPAC name of 12-cyclohexyloxy-2-(fluoromethyl)dodecanal (CID 91086959) is 12-cyclohexyloxy-2-(fluoromethyl)dodecanal.
What is the SMILES notation for 12-cyclohexyloxy-2-(fluoromethyl)dodecanal?
The canonical SMILES for 12-cyclohexyloxy-2-(fluoromethyl)dodecanal is O=CC(CF)CCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 12-cyclohexyloxy-2-(fluoromethyl)dodecanal?
The InChIKey is CVZJDYRJWHWFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FO2/c20-16-18(17-21)12-8-5-3-1-2-4-6-11-15-22-19-13-9-7-10-14-19/h17-19H,1-16H2.
What are the key properties of 12-cyclohexyloxy-2-(fluoromethyl)dodecanal?
12-cyclohexyloxy-2-(fluoromethyl)dodecanal has a molecular weight of 314.49 g/mol, XLogP of 5.63, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclohexyloxy-2-(fluoromethyl)dodecanal is sourced from PubChem (CID 91086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).