16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal

C24H41F5O2 — CID 91215760

IUPAC16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal
SMILESO=CC(CCCCCCCCCCCCCCOC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H41F5O2/c25-23(26,24(27,28)29)21(20-30)16-12-9-7-5-3-1-2-4-6-8-10-15-19-31-22-17-13-11-14-18-22/h20-22H,1-19H2
InChIKeyXYBINNMTUPDDET-UHFFFAOYSA-N
MW456.58 g/mol
LogP8.42
Rot. Bonds18

About 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal

16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal (PubChem CID 91215760) has the molecular formula C24H41F5O2 and a molecular weight of 456.58 g/mol. Its IUPAC name is 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal.

Molecular Properties

Compound Name16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal
PubChem CID91215760
Molecular FormulaC24H41F5O2
Molecular Weight456.58 g/mol
Exact Mass456.30
IUPAC Name16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal
SMILESO=CC(CCCCCCCCCCCCCCOC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H41F5O2/c25-23(26,24(27,28)29)21(20-30)16-12-9-7-5-3-1-2-4-6-8-10-15-19-31-22-17-13-11-14-18-22/h20-22H,1-19H2
InChIKeyXYBINNMTUPDDET-UHFFFAOYSA-N
XLogP8.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 58.42
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal 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

7-[(2R,3S)-2-octyloxan-3-yl]heptanal
CID 53760069
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-cyclohexylpropanoate
CID 125478847
3-[4-[(2,3-Difluorocyclohexyl)oxymethyl]cyclohexyl]propanal
CID 57815749
4-[4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]cyclohexyl]cyclohexane-1-carbaldehyde
CID 59010773
4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexane-1-carbaldehyde
CID 88900202
20-Cyclohexyloxy-2-(fluoromethyl)icosanal
CID 90685384
12-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)dodecanal
CID 90754740
10-Cyclohexyloxy-2-(fluoromethyl)decanal
CID 90950097
12-Cyclohexyloxy-2-(fluoromethyl)dodecanal
CID 91086959
16-Cyclohexyloxy-2-(fluoromethyl)hexadecanal
CID 91124045
20-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)icosanal
CID 91134545
10-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal
CID 91269317

Frequently Asked Questions

What is the IUPAC name of 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal?
The IUPAC name of 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal (CID 91215760) is 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal.
What is the SMILES notation for 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal?
The canonical SMILES for 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal is O=CC(CCCCCCCCCCCCCCOC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal?
The InChIKey is XYBINNMTUPDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41F5O2/c25-23(26,24(27,28)29)21(20-30)16-12-9-7-5-3-1-2-4-6-8-10-15-19-31-22-17-13-11-14-18-22/h20-22H,1-19H2.
What are the key properties of 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal?
16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal has a molecular weight of 456.58 g/mol, XLogP of 8.42, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal is sourced from PubChem (CID 91215760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).