1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane

C18F34O — CID 141480344

IUPAC1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18F34O/c19-1(5(25,26)9(33,34)13(41,42)17(47,48)49)3(21,22)7(29,30)11(37,38)15(1,45)53-16(46)2(20,4(23,24)8(31,32)12(16,39)40)6(27,28)10(35,36)14(43,44)18(50,51)52
InChIKeyPXUXYZADWFSAOD-UHFFFAOYSA-N
MW878.13 g/mol
LogP10.53
Rot. Bonds8

About 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane

1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane (PubChem CID 141480344) has the molecular formula C18F34O and a molecular weight of 878.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane
PubChem CID141480344
Molecular FormulaC18F34O
Molecular Weight878.13 g/mol
Exact Mass877.94
IUPAC Name1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18F34O/c19-1(5(25,26)9(33,34)13(41,42)17(47,48)49)3(21,22)7(29,30)11(37,38)15(1,45)53-16(46)2(20,4(23,24)8(31,32)12(16,39)40)6(27,28)10(35,36)14(43,44)18(50,51)52
InChIKeyPXUXYZADWFSAOD-UHFFFAOYSA-N
XLogP10.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane with MolForge

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

Launch Full Analysis

Related Compounds

Perfluoro(1-oxaspiro[4.4]nonane)
CID 567768
1,1,2,2,3,3,4,5-Octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)cyclopentyl]oxycyclopentane
CID 141480343
2,2,3,3,4,4,5-Heptafluoro-5-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)oxolane
CID 13451003

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane (CID 141480344) is 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane?
The InChIKey is PXUXYZADWFSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F34O/c19-1(5(25,26)9(33,34)13(41,42)17(47,48)49)3(21,22)7(29,30)11(37,38)15(1,45)53-16(46)2(20,4(23,24)8(31,32)12(16,39)40)6(27,28)10(35,36)14(43,44)18(50,51)52.
What are the key properties of 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane?
1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane has a molecular weight of 878.13 g/mol, XLogP of 10.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5-octafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclopentyl]oxycyclopentane is sourced from PubChem (CID 141480344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).