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

C10F12 — CID 13416601

IUPAC1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene
SMILESFc1c(F)c2c(c(F)c1C(F)(F)F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10F12/c11-4-1-2(5(12)6(13)3(4)9(18,19)20)8(16,17)10(21,22)7(1,14)15
InChIKeyVJVVNCAYYNHCNW-UHFFFAOYSA-N
MW348.09 g/mol
LogP4.96
Rot. Bonds

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

1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene (PubChem CID 13416601) has the molecular formula C10F12 and a molecular weight of 348.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene
PubChem CID13416601
Molecular FormulaC10F12
Molecular Weight348.09 g/mol
Exact Mass347.98
IUPAC Name1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene
SMILESFc1c(F)c2c(c(F)c1C(F)(F)F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C10F12/c11-4-1-2(5(12)6(13)3(4)9(18,19)20)8(16,17)10(21,22)7(1,14)15
InChIKeyVJVVNCAYYNHCNW-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.09
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene?
The IUPAC name of 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene (CID 13416601) is 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene is Fc1c(F)c2c(c(F)c1C(F)(F)F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene?
The InChIKey is VJVVNCAYYNHCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F12/c11-4-1-2(5(12)6(13)3(4)9(18,19)20)8(16,17)10(21,22)7(1,14)15.
What are the key properties of 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene?
1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene has a molecular weight of 348.09 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,7-nonafluoro-6-(trifluoromethyl)indene is sourced from PubChem (CID 13416601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).