1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene

C13H5F17 — CID 15769647

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=CC1
InChIInChI=1S/C13H5F17/c14-6(15,5-3-1-2-4-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-3H,4H2
InChIKeyMTMAHERBDLVGME-UHFFFAOYSA-N
MW484.15 g/mol
LogP6.88
Rot. Bonds7

About 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene (PubChem CID 15769647) has the molecular formula C13H5F17 and a molecular weight of 484.15 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene
PubChem CID15769647
Molecular FormulaC13H5F17
Molecular Weight484.15 g/mol
Exact Mass484.01
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=CC1
InChIInChI=1S/C13H5F17/c14-6(15,5-3-1-2-4-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-3H,4H2
InChIKeyMTMAHERBDLVGME-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.15
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene (CID 15769647) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=CC1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene?
The InChIKey is MTMAHERBDLVGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F17/c14-6(15,5-3-1-2-4-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-3H,4H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene?
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene has a molecular weight of 484.15 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)cyclopenta-1,3-diene is sourced from PubChem (CID 15769647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).