1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene

C10F18 — CID 22508282

IUPAC1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C10F18/c11-1-2(12,5(16,17)7(20,21)3(1,13)10(26,27)28)6(18,19)9(24,25)8(22,23)4(1,14)15
InChIKeyYAEVKGZKHMJQFN-UHFFFAOYSA-N
MW462.07 g/mol
LogP5.51
Rot. Bonds

About 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene

1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene (PubChem CID 22508282) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
PubChem CID22508282
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
InChIInChI=1S/C10F18/c11-1-2(12,5(16,17)7(20,21)3(1,13)10(26,27)28)6(18,19)9(24,25)8(22,23)4(1,14)15
InChIKeyYAEVKGZKHMJQFN-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 55.51
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 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene?
The IUPAC name of 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene (CID 22508282) is 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene is FC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F.
What is the InChIKey of 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene?
The InChIKey is YAEVKGZKHMJQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-1-2(12,5(16,17)7(20,21)3(1,13)10(26,27)28)6(18,19)9(24,25)8(22,23)4(1,14)15.
What are the key properties of 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene?
1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene has a molecular weight of 462.07 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene is sourced from PubChem (CID 22508282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).