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

C16F30O — CID 141480343

IUPAC1,1,2,2,3,3,4,5-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
SMILESFC(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)F
InChIInChI=1S/C16F30O/c17-1(5(23,24)11(35,36)15(41,42)43)3(19,20)7(27,28)9(31,32)13(1,39)47-14(40)2(18,4(21,22)8(29,30)10(14,33)34)6(25,26)12(37,38)16(44,45)46
InChIKeyYQNGZFOKBMSOIN-UHFFFAOYSA-N
MW778.11 g/mol
LogP9.26
Rot. Bonds6

About 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

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 (PubChem CID 141480343) has the molecular formula C16F30O and a molecular weight of 778.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5-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
PubChem CID141480343
Molecular FormulaC16F30O
Molecular Weight778.11 g/mol
Exact Mass777.95
IUPAC Name1,1,2,2,3,3,4,5-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
SMILESFC(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)F
InChIInChI=1S/C16F30O/c17-1(5(23,24)11(35,36)15(41,42)43)3(19,20)7(27,28)9(31,32)13(1,39)47-14(40)2(18,4(21,22)8(29,30)10(14,33)34)6(25,26)12(37,38)16(44,45)46
InChIKeyYQNGZFOKBMSOIN-UHFFFAOYSA-N
XLogP9.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.11
LogP ≤ 59.26
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-(1,1,2,2,3,3,3-heptafluoropropyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)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-(1,1,2,2,3,3,4,4,4-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
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-(1,1,2,2,3,3,3-heptafluoropropyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)cyclopentyl]oxycyclopentane?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(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)F.
What is the InChIKey of 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?
The InChIKey is YQNGZFOKBMSOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F30O/c17-1(5(23,24)11(35,36)15(41,42)43)3(19,20)7(27,28)9(31,32)13(1,39)47-14(40)2(18,4(21,22)8(29,30)10(14,33)34)6(25,26)12(37,38)16(44,45)46.
What are the key properties of 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?
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 has a molecular weight of 778.11 g/mol, XLogP of 9.26, 6 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-(1,1,2,2,3,3,3-heptafluoropropyl)-5-[1,2,2,3,3,4,4,5-octafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)cyclopentyl]oxycyclopentane is sourced from PubChem (CID 141480343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).