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

C14H27FO3 — CID 58100548

IUPAC1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
SMILESCCC1CC(C)(OCOCCOC)CC1(F)CC
InChIInChI=1S/C14H27FO3/c1-5-12-9-13(3,10-14(12,15)6-2)18-11-17-8-7-16-4/h12H,5-11H2,1-4H3
InChIKeyGRLAZCKHJJJZDC-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.32
Rot. Bonds8

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

1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane (PubChem CID 58100548) has the molecular formula C14H27FO3 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane.

Molecular Properties

Compound Name1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
PubChem CID58100548
Molecular FormulaC14H27FO3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
SMILESCCC1CC(C)(OCOCCOC)CC1(F)CC
InChIInChI=1S/C14H27FO3/c1-5-12-9-13(3,10-14(12,15)6-2)18-11-17-8-7-16-4/h12H,5-11H2,1-4H3
InChIKeyGRLAZCKHJJJZDC-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
The IUPAC name of 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane (CID 58100548) is 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane.
What is the SMILES notation for 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
The canonical SMILES for 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane is CCC1CC(C)(OCOCCOC)CC1(F)CC.
What is the InChIKey of 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
The InChIKey is GRLAZCKHJJJZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO3/c1-5-12-9-13(3,10-14(12,15)6-2)18-11-17-8-7-16-4/h12H,5-11H2,1-4H3.
What are the key properties of 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane?
1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane has a molecular weight of 262.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane is sourced from PubChem (CID 58100548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).