4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane

C13H25FO2 — CID 58205791

IUPAC4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane
SMILESCCOCOC1(C)CC(CC)C(F)(CC)C1
InChIInChI=1S/C13H25FO2/c1-5-11-8-12(4,16-10-15-7-3)9-13(11,14)6-2/h11H,5-10H2,1-4H3
InChIKeyVUCDKYCNPBIMED-UHFFFAOYSA-N
MW232.34 g/mol
LogP3.69
Rot. Bonds6

About 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane

4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane (PubChem CID 58205791) has the molecular formula C13H25FO2 and a molecular weight of 232.34 g/mol. Its IUPAC name is 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane.

Molecular Properties

Compound Name4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane
PubChem CID58205791
Molecular FormulaC13H25FO2
Molecular Weight232.34 g/mol
Exact Mass232.18
IUPAC Name4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane
SMILESCCOCOC1(C)CC(CC)C(F)(CC)C1
InChIInChI=1S/C13H25FO2/c1-5-11-8-12(4,16-10-15-7-3)9-13(11,14)6-2/h11H,5-10H2,1-4H3
InChIKeyVUCDKYCNPBIMED-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane?
The IUPAC name of 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane (CID 58205791) is 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane.
What is the SMILES notation for 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane?
The canonical SMILES for 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane is CCOCOC1(C)CC(CC)C(F)(CC)C1.
What is the InChIKey of 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane?
The InChIKey is VUCDKYCNPBIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO2/c1-5-11-8-12(4,16-10-15-7-3)9-13(11,14)6-2/h11H,5-10H2,1-4H3.
What are the key properties of 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane?
4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane has a molecular weight of 232.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxy)-1,2-diethyl-1-fluoro-4-methylcyclopentane is sourced from PubChem (CID 58205791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).