1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane

C15H29FO3 — CID 58205894

IUPAC1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane
SMILESCCC1CC(F)(CC)CC(C)(OCOCCOC)C1
InChIInChI=1S/C15H29FO3/c1-5-13-9-14(3,11-15(16,6-2)10-13)19-12-18-8-7-17-4/h13H,5-12H2,1-4H3
InChIKeyHUOMQPIDBAAURG-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.71
Rot. Bonds8

About 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane

1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane (PubChem CID 58205894) has the molecular formula C15H29FO3 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane.

Molecular Properties

Compound Name1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane
PubChem CID58205894
Molecular FormulaC15H29FO3
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane
SMILESCCC1CC(F)(CC)CC(C)(OCOCCOC)C1
InChIInChI=1S/C15H29FO3/c1-5-13-9-14(3,11-15(16,6-2)10-13)19-12-18-8-7-17-4/h13H,5-12H2,1-4H3
InChIKeyHUOMQPIDBAAURG-UHFFFAOYSA-N
XLogP3.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-Difluoroethyl)-2,2,4-trifluoro-1-(methoxymethoxy)-5-methyl-1-(trifluoromethyl)cyclohexane
CID 20770040
1-(1,1-Difluoroethyl)-1,2,2-trifluoro-3-(methoxymethoxy)-5-methyl-3-(trifluoromethyl)cyclohexane
CID 23597948
3-Ethyl-1,2,2-trifluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723670
1-(1,1-Difluoroethyl)-1-fluoro-3-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723676
1-(Ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane
CID 58205726
1-(1,1-Difluoroethyl)-3-(ethoxymethoxy)-5-ethyl-1,2,2-trifluoro-3-(trifluoromethyl)cyclohexane
CID 58587389
3-Ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 58657618
1-(1,1-Difluoroethyl)-3-(ethoxymethoxy)-1,2,2-trifluoro-5-methyl-3-(trifluoromethyl)cyclohexane
CID 58721427
3-(1,1-Difluoroethyl)-5-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclohexane
CID 60034435
3-(1,1-Difluoroethyl)-1-(ethoxymethoxy)-5-ethyl-2,2,4-trifluoro-1-(trifluoromethyl)cyclohexane
CID 60034497
3-(1,1-Difluoroethyl)-1-(ethoxymethoxy)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexane
CID 60124547
3-(1,1-Difluoroethyl)-2,2-difluoro-1-(methoxymethoxy)-5-methyl-1-(trifluoromethyl)cyclohexane
CID 91043963

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane?
The IUPAC name of 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane (CID 58205894) is 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane.
What is the SMILES notation for 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane?
The canonical SMILES for 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane is CCC1CC(F)(CC)CC(C)(OCOCCOC)C1.
What is the InChIKey of 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane?
The InChIKey is HUOMQPIDBAAURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO3/c1-5-13-9-14(3,11-15(16,6-2)10-13)19-12-18-8-7-17-4/h13H,5-12H2,1-4H3.
What are the key properties of 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane?
1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane has a molecular weight of 276.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-1-fluoro-3-(2-methoxyethoxymethoxy)-3-methylcyclohexane is sourced from PubChem (CID 58205894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).