1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane

C17F32 — CID 88806800

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane
SMILESFC(F)(F)C1(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17F32/c18-2(5(23,24)9(31,32)13(39,40)16(45,46)14(41,42)10(33,34)6(2,25)26)1(17(47,48)49)3(19,20)7(27,28)11(35,36)15(43,44)12(37,38)8(29,30)4(1,21)22
InChIKeyRVDFASGLKXQJIC-UHFFFAOYSA-N
MW812.12 g/mol
LogP10.16
Rot. Bonds1

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane (PubChem CID 88806800) has the molecular formula C17F32 and a molecular weight of 812.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane
PubChem CID88806800
Molecular FormulaC17F32
Molecular Weight812.12 g/mol
Exact Mass811.95
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane
SMILESFC(F)(F)C1(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17F32/c18-2(5(23,24)9(31,32)13(39,40)16(45,46)14(41,42)10(33,34)6(2,25)26)1(17(47,48)49)3(19,20)7(27,28)11(35,36)15(43,44)12(37,38)8(29,30)4(1,21)22
InChIKeyRVDFASGLKXQJIC-UHFFFAOYSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.12
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane (CID 88806800) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane is FC(F)(F)C1(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane?
The InChIKey is RVDFASGLKXQJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17F32/c18-2(5(23,24)9(31,32)13(39,40)16(45,46)14(41,42)10(33,34)6(2,25)26)1(17(47,48)49)3(19,20)7(27,28)11(35,36)15(43,44)12(37,38)8(29,30)4(1,21)22.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane has a molecular weight of 812.12 g/mol, XLogP of 10.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1-(trifluoromethyl)cyclooctyl]cyclooctane is sourced from PubChem (CID 88806800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).