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

C24H30F16O4 — CID 58971607

IUPAC3-(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
SMILESCCC1CC(OCOCCOCOC2(C(F)(F)F)CC(CC)C(F)(C(C)(F)F)C2(F)F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C24H30F16O4/c1-5-13-9-17(23(35,36)37,21(31,32)19(13,29)15(3,25)26)43-11-41-7-8-42-12-44-18(24(38,39)40)10-14(6-2)20(30,16(4,27)28)22(18,33)34/h13-14H,5-12H2,1-4H3
InChIKeyBTLSALCJZLIAEY-UHFFFAOYSA-N
MW686.47 g/mol
LogP8.43
Rot. Bonds13

About 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

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 (PubChem CID 58971607) has the molecular formula C24H30F16O4 and a molecular weight of 686.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID58971607
Molecular FormulaC24H30F16O4
Molecular Weight686.47 g/mol
Exact Mass686.19
IUPAC Name3-(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
SMILESCCC1CC(OCOCCOCOC2(C(F)(F)F)CC(CC)C(F)(C(C)(F)F)C2(F)F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C24H30F16O4/c1-5-13-9-17(23(35,36)37,21(31,32)19(13,29)15(3,25)26)43-11-41-7-8-42-12-44-18(24(38,39)40)10-14(6-2)20(30,16(4,27)28)22(18,33)34/h13-14H,5-12H2,1-4H3
InChIKeyBTLSALCJZLIAEY-UHFFFAOYSA-N
XLogP8.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.47
LogP ≤ 58.43
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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1CC(OCOCCOCOC2(C(F)(F)F)CC(CC)C(F)(C(C)(F)F)C2(F)F)(C(F)(F)F)C(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 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?
The InChIKey is BTLSALCJZLIAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F16O4/c1-5-13-9-17(23(35,36)37,21(31,32)19(13,29)15(3,25)26)43-11-41-7-8-42-12-44-18(24(38,39)40)10-14(6-2)20(30,16(4,27)28)22(18,33)34/h13-14H,5-12H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 686.47 g/mol, XLogP of 8.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58971607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).