10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal

C18H29F5O2 — CID 91269317

IUPAC10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal
SMILESO=CC(CCCCCCCCOC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H29F5O2/c19-17(20,18(21,22)23)15(14-24)10-6-3-1-2-4-9-13-25-16-11-7-5-8-12-16/h14-16H,1-13H2
InChIKeyGJJGNWQACKBLSC-UHFFFAOYSA-N
MW372.42 g/mol
LogP6.08
Rot. Bonds12

About 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal

10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal (PubChem CID 91269317) has the molecular formula C18H29F5O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal.

Molecular Properties

Compound Name10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal
PubChem CID91269317
Molecular FormulaC18H29F5O2
Molecular Weight372.42 g/mol
Exact Mass372.21
IUPAC Name10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal
SMILESO=CC(CCCCCCCCOC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H29F5O2/c19-17(20,18(21,22)23)15(14-24)10-6-3-1-2-4-9-13-25-16-11-7-5-8-12-16/h14-16H,1-13H2
InChIKeyGJJGNWQACKBLSC-UHFFFAOYSA-N
XLogP6.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 56.08
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'}

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Related Compounds

Cyclohexanepropanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
CID 566186
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-cyclohexylpropanoate
CID 125478847
4,4-Difluoro-5-methyl-5-(oxan-2-yl)hexanal
CID 57108830
3-[4-[(2,3-Difluorocyclohexyl)oxymethyl]cyclohexyl]propanal
CID 57815749
4-[4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]cyclohexyl]cyclohexane-1-carbaldehyde
CID 59010773
3,3,4,4,5,5,5-Heptafluoropentan-2-yl 5-ethyl-2,2,3,4,4-pentafluoro-3-methylcyclohexane-1-carboxylate
CID 59620787
3,3,4,4,5,5,5-Heptafluoropentan-2-yl 3-(1,1-difluoroethyl)-2,2,3-trifluoro-5-methylcyclohexane-1-carboxylate
CID 59620807
2-[3,5-Bis[difluoro(methoxy)methyl]cyclohexyl]-2,2-difluoroacetaldehyde
CID 60125284
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

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal?
The IUPAC name of 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal (CID 91269317) is 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal.
What is the SMILES notation for 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal?
The canonical SMILES for 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal is O=CC(CCCCCCCCOC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal?
The InChIKey is GJJGNWQACKBLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F5O2/c19-17(20,18(21,22)23)15(14-24)10-6-3-1-2-4-9-13-25-16-11-7-5-8-12-16/h14-16H,1-13H2.
What are the key properties of 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal?
10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal has a molecular weight of 372.42 g/mol, XLogP of 6.08, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyloxy-2-(1,1,2,2,2-pentafluoroethyl)decanal is sourced from PubChem (CID 91269317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).