4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane

C12H18F6O3 — CID 91301072

IUPAC4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1F
InChIInChI=1S/C12H18F6O3/c1-3-8-6-10(12(16,17)18,11(14,15)9(8)13)21-7-20-5-4-19-2/h8-9H,3-7H2,1-2H3
InChIKeyQGAVNSOVNXGNGU-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.33
Rot. Bonds7

About 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane

4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane (PubChem CID 91301072) has the molecular formula C12H18F6O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
PubChem CID91301072
Molecular FormulaC12H18F6O3
Molecular Weight324.26 g/mol
Exact Mass324.12
IUPAC Name4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1F
InChIInChI=1S/C12H18F6O3/c1-3-8-6-10(12(16,17)18,11(14,15)9(8)13)21-7-20-5-4-19-2/h8-9H,3-7H2,1-2H3
InChIKeyQGAVNSOVNXGNGU-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.33
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)-4-ethyl-2,2,4-trifluoro-1-(methoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 20770041
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(methoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 23597952
1-Ethyl-3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclopentane
CID 57723671
1-(1,1-Difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58079136
1,2-Diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58100548
3-(1,1-Difluoroethyl)-1-(difluoromethyl)-1-(ethoxymethoxy)-4-ethyl-2,2,3-trifluorocyclopentane
CID 58895592
3-(1,1-Difluoroethyl)-1-[2-[[3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentyl]oxymethoxy]ethoxymethoxy]-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentane
CID 58971607
3-(1,1-Difluoroethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59130092
3-(1,1-Difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane
CID 59172704
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59257512
1-[2-[[3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(trifluoromethyl)cyclopentyl]oxymethoxy]ethoxymethoxy]-4-ethyl-2,2,3-trifluoro-1,3-bis(trifluoromethyl)cyclopentane
CID 59366445
4-Ethyl-2,2,3,4-tetrafluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59482649

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane (CID 91301072) is 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane is CCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1F.
What is the InChIKey of 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The InChIKey is QGAVNSOVNXGNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O3/c1-3-8-6-10(12(16,17)18,11(14,15)9(8)13)21-7-20-5-4-19-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane has a molecular weight of 324.26 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 91301072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).