bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate

C18H26F4O4 — CID 58372449

IUPACbis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
SMILESCCC1(OC(=O)C(F)(F)C(F)(F)C(=O)OC2(CC)CCCC2)CCCC1
InChIInChI=1S/C18H26F4O4/c1-3-15(9-5-6-10-15)25-13(23)17(19,20)18(21,22)14(24)26-16(4-2)11-7-8-12-16/h3-12H2,1-2H3
InChIKeyFCJUUWMMJUVHIV-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.79
Rot. Bonds7

About bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate

bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate (PubChem CID 58372449) has the molecular formula C18H26F4O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate.

Molecular Properties

Compound Namebis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
PubChem CID58372449
Molecular FormulaC18H26F4O4
Molecular Weight382.39 g/mol
Exact Mass382.18
IUPAC Namebis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
SMILESCCC1(OC(=O)C(F)(F)C(F)(F)C(=O)OC2(CC)CCCC2)CCCC1
InChIInChI=1S/C18H26F4O4/c1-3-15(9-5-6-10-15)25-13(23)17(19,20)18(21,22)14(24)26-16(4-2)11-7-8-12-16/h3-12H2,1-2H3
InChIKeyFCJUUWMMJUVHIV-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 1-cyclopentylethyl ester
CID 91742259
1-O-cyclopentyl 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372419
1-O-(1-cyclopentylcyclopentyl) 4-O-(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372447
1-O-(1-methylcyclobutyl) 4-O-(1-methylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372453
4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-ethyl-2-methylbutanedioate
CID 70934689
4-(1-Ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 155383250
1-O-(1-ethylcyclopentyl) 4-O-fluoro 2,2,3-trifluorobutanedioate
CID 174588984
4-(1-Ethylcyclopentyl)oxy-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 177084900
2,2,3,3-Tetrafluoro-4-(1-methylcyclopentyl)oxy-4-oxobutanoate
CID 177084903
Bis(1-methylcyclopentyl) 2-methylbutanedioate
CID 170265448

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate?
The IUPAC name of bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate (CID 58372449) is bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate.
What is the SMILES notation for bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate?
The canonical SMILES for bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate is CCC1(OC(=O)C(F)(F)C(F)(F)C(=O)OC2(CC)CCCC2)CCCC1.
What is the InChIKey of bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate?
The InChIKey is FCJUUWMMJUVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4O4/c1-3-15(9-5-6-10-15)25-13(23)17(19,20)18(21,22)14(24)26-16(4-2)11-7-8-12-16/h3-12H2,1-2H3.
What are the key properties of bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate?
bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate has a molecular weight of 382.39 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylcyclopentyl) 2,2,3,3-tetrafluorobutanedioate is sourced from PubChem (CID 58372449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).