2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal

C14H19F7O2 — CID 10020872

IUPAC2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
SMILESCCOC(C=O)(CC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F7O2/c1-2-23-11(9-22,8-10-6-4-3-5-7-10)12(15,16)13(17,18)14(19,20)21/h9-10H,2-8H2,1H3
InChIKeyGDXYLHSZLUVUBF-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.76
Rot. Bonds7

About 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal

2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal (PubChem CID 10020872) has the molecular formula C14H19F7O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
PubChem CID10020872
Molecular FormulaC14H19F7O2
Molecular Weight352.29 g/mol
Exact Mass352.13
IUPAC Name2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
SMILESCCOC(C=O)(CC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H19F7O2/c1-2-23-11(9-22,8-10-6-4-3-5-7-10)12(15,16)13(17,18)14(19,20)21/h9-10H,2-8H2,1H3
InChIKeyGDXYLHSZLUVUBF-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexyl-2-ethoxyacetaldehyde
CID 105434553
2-(4,4-Difluorocyclohexyl)-2-methoxyacetaldehyde
CID 155819576
4,4-Difluoro-1-methoxycyclohexane-1-carbaldehyde
CID 155821930
1-Cyclohexyl-2-fluoro-2-(trifluoromethoxy)ethan-1-one
CID 21730841
1-(4,4-Difluoro-1-methoxycyclohexyl)-2-methylpropan-1-one
CID 89692015
1-[(2S)-5,5-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692478
1-[(2R)-5,5-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692481
1-[(2R)-4,4-difluoro-2-methyloxan-2-yl]-2-methylpropan-1-one
CID 89692494
12-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)dodecanal
CID 90754740
20-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)icosanal
CID 91134545
16-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)hexadecanal
CID 91215760
10-Cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal
CID 91269317

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal?
The IUPAC name of 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal (CID 10020872) is 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal.
What is the SMILES notation for 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal?
The canonical SMILES for 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal is CCOC(C=O)(CC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal?
The InChIKey is GDXYLHSZLUVUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F7O2/c1-2-23-11(9-22,8-10-6-4-3-5-7-10)12(15,16)13(17,18)14(19,20)21/h9-10H,2-8H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal?
2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal has a molecular weight of 352.29 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal is sourced from PubChem (CID 10020872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).