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

C10F12 — CID 12521072

IUPAC1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C10F12/c11-3-1-2(4(12)6(14)5(3)13)8(16,17)9(18,19)7(1,15)10(20,21)22
InChIKeyQFEAAXPVUPDIKO-UHFFFAOYSA-N
MW348.09 g/mol
LogP4.71
Rot. Bonds

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

1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene (PubChem CID 12521072) has the molecular formula C10F12 and a molecular weight of 348.09 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene
PubChem CID12521072
Molecular FormulaC10F12
Molecular Weight348.09 g/mol
Exact Mass347.98
IUPAC Name1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F
InChIInChI=1S/C10F12/c11-3-1-2(4(12)6(14)5(3)13)8(16,17)9(18,19)7(1,15)10(20,21)22
InChIKeyQFEAAXPVUPDIKO-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene?
The IUPAC name of 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene (CID 12521072) is 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene?
The canonical SMILES for 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene?
The InChIKey is QFEAAXPVUPDIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F12/c11-3-1-2(4(12)6(14)5(3)13)8(16,17)9(18,19)7(1,15)10(20,21)22.
What are the key properties of 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene?
1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene has a molecular weight of 348.09 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,6,7-nonafluoro-3-(trifluoromethyl)indene is sourced from PubChem (CID 12521072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).