10-cyclohexyloxy-2-(fluoromethyl)decanal

C17H31FO2 — CID 90950097

IUPAC10-cyclohexyloxy-2-(fluoromethyl)decanal
SMILESO=CC(CF)CCCCCCCCOC1CCCCC1
InChIInChI=1S/C17H31FO2/c18-14-16(15-19)10-6-3-1-2-4-9-13-20-17-11-7-5-8-12-17/h15-17H,1-14H2
InChIKeyGUYCJHGDCRUIPA-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.85
Rot. Bonds12

About 10-cyclohexyloxy-2-(fluoromethyl)decanal

10-cyclohexyloxy-2-(fluoromethyl)decanal (PubChem CID 90950097) has the molecular formula C17H31FO2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 10-cyclohexyloxy-2-(fluoromethyl)decanal.

Molecular Properties

Compound Name10-cyclohexyloxy-2-(fluoromethyl)decanal
PubChem CID90950097
Molecular FormulaC17H31FO2
Molecular Weight286.43 g/mol
Exact Mass286.23
IUPAC Name10-cyclohexyloxy-2-(fluoromethyl)decanal
SMILESO=CC(CF)CCCCCCCCOC1CCCCC1
InChIInChI=1S/C17H31FO2/c18-14-16(15-19)10-6-3-1-2-4-9-13-20-17-11-7-5-8-12-17/h15-17H,1-14H2
InChIKeyGUYCJHGDCRUIPA-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.85
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 10-cyclohexyloxy-2-(fluoromethyl)decanal?
The IUPAC name of 10-cyclohexyloxy-2-(fluoromethyl)decanal (CID 90950097) is 10-cyclohexyloxy-2-(fluoromethyl)decanal.
What is the SMILES notation for 10-cyclohexyloxy-2-(fluoromethyl)decanal?
The canonical SMILES for 10-cyclohexyloxy-2-(fluoromethyl)decanal is O=CC(CF)CCCCCCCCOC1CCCCC1.
What is the InChIKey of 10-cyclohexyloxy-2-(fluoromethyl)decanal?
The InChIKey is GUYCJHGDCRUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FO2/c18-14-16(15-19)10-6-3-1-2-4-9-13-20-17-11-7-5-8-12-17/h15-17H,1-14H2.
What are the key properties of 10-cyclohexyloxy-2-(fluoromethyl)decanal?
10-cyclohexyloxy-2-(fluoromethyl)decanal has a molecular weight of 286.43 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyloxy-2-(fluoromethyl)decanal is sourced from PubChem (CID 90950097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).