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

C14H21F7O3 — CID 91026490

IUPAC3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1C(C)(F)F
InChIInChI=1S/C14H21F7O3/c1-4-9-7-12(14(19,20)21,24-8-23-6-5-22-3)13(17,18)10(9)11(2,15)16/h9-10H,4-8H2,1-3H3
InChIKeyAKKUVCFROHODHX-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.26
Rot. Bonds8

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

3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane (PubChem CID 91026490) has the molecular formula C14H21F7O3 and a molecular weight of 370.31 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
PubChem CID91026490
Molecular FormulaC14H21F7O3
Molecular Weight370.31 g/mol
Exact Mass370.14
IUPAC Name3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1C(C)(F)F
InChIInChI=1S/C14H21F7O3/c1-4-9-7-12(14(19,20)21,24-8-23-6-5-22-3)13(17,18)10(9)11(2,15)16/h9-10H,4-8H2,1-3H3
InChIKeyAKKUVCFROHODHX-UHFFFAOYSA-N
XLogP4.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.26
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-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane (CID 91026490) is 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane is CCC1CC(OCOCCOC)(C(F)(F)F)C(F)(F)C1C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
The InChIKey is AKKUVCFROHODHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7O3/c1-4-9-7-12(14(19,20)21,24-8-23-6-5-22-3)13(17,18)10(9)11(2,15)16/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane?
3-(1,1-difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane has a molecular weight of 370.31 g/mol, XLogP of 4.26, 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-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 91026490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).