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

C14H20F8O3 — CID 59257512

IUPAC3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C14H20F8O3/c1-4-9-7-11(14(20,21)22,25-8-24-6-5-23-3)13(18,19)12(9,17)10(2,15)16/h9H,4-8H2,1-3H3
InChIKeyYEANVLLIQUYTRV-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.35
Rot. Bonds8

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

3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane (PubChem CID 59257512) has the molecular formula C14H20F8O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
PubChem CID59257512
Molecular FormulaC14H20F8O3
Molecular Weight388.30 g/mol
Exact Mass388.13
IUPAC Name3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C14H20F8O3/c1-4-9-7-11(14(20,21)22,25-8-24-6-5-23-3)13(18,19)12(9,17)10(2,15)16/h9H,4-8H2,1-3H3
InChIKeyYEANVLLIQUYTRV-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.35
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 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane (CID 59257512) is 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane is CCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The InChIKey is YEANVLLIQUYTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F8O3/c1-4-9-7-11(14(20,21)22,25-8-24-6-5-23-3)13(18,19)12(9,17)10(2,15)16/h9H,4-8H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane has a molecular weight of 388.30 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 59257512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).