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

C23H27F17O4 — CID 59366445

IUPAC1-[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
SMILESCCC1CC(OCOCCOCOC2(C(F)(F)F)CC(CC)C(F)(C(F)(F)F)C2(F)F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C23H27F17O4/c1-4-12-8-15(21(32,33)34,19(28,29)17(12,26)14(3,24)25)43-10-41-6-7-42-11-44-16(22(35,36)37)9-13(5-2)18(27,20(16,30)31)23(38,39)40/h12-13H,4-11H2,1-3H3
InChIKeyIGQMTAYZSITETK-UHFFFAOYSA-N
MW690.43 g/mol
LogP8.33
Rot. Bonds12

About 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

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 (PubChem CID 59366445) has the molecular formula C23H27F17O4 and a molecular weight of 690.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID59366445
Molecular FormulaC23H27F17O4
Molecular Weight690.43 g/mol
Exact Mass690.16
IUPAC Name1-[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
SMILESCCC1CC(OCOCCOCOC2(C(F)(F)F)CC(CC)C(F)(C(F)(F)F)C2(F)F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C23H27F17O4/c1-4-12-8-15(21(32,33)34,19(28,29)17(12,26)14(3,24)25)43-10-41-6-7-42-11-44-16(22(35,36)37)9-13(5-2)18(27,20(16,30)31)23(38,39)40/h12-13H,4-11H2,1-3H3
InChIKeyIGQMTAYZSITETK-UHFFFAOYSA-N
XLogP8.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.43
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CC(OCOCCOCOC2(C(F)(F)F)CC(CC)C(F)(C(F)(F)F)C2(F)F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 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?
The InChIKey is IGQMTAYZSITETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F17O4/c1-4-12-8-15(21(32,33)34,19(28,29)17(12,26)14(3,24)25)43-10-41-6-7-42-11-44-16(22(35,36)37)9-13(5-2)18(27,20(16,30)31)23(38,39)40/h12-13H,4-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 690.43 g/mol, XLogP of 8.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59366445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).