1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one

C10F10O — CID 14982080

IUPAC1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one
SMILESO=C1C(F)(F)c2c(F)c(F)c(F)c(F)c2C1(F)C(F)(F)F
InChIInChI=1S/C10F10O/c11-3-1-2(4(12)6(14)5(3)13)9(16,17)7(21)8(1,15)10(18,19)20
InChIKeySGZAVIOILODGPJ-UHFFFAOYSA-N
MW326.09 g/mol
LogP3.64
Rot. Bonds

About 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one

1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one (PubChem CID 14982080) has the molecular formula C10F10O and a molecular weight of 326.09 g/mol. Its IUPAC name is 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one.

Molecular Properties

Compound Name1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one
PubChem CID14982080
Molecular FormulaC10F10O
Molecular Weight326.09 g/mol
Exact Mass325.98
IUPAC Name1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one
SMILESO=C1C(F)(F)c2c(F)c(F)c(F)c(F)c2C1(F)C(F)(F)F
InChIInChI=1S/C10F10O/c11-3-1-2(4(12)6(14)5(3)13)9(16,17)7(21)8(1,15)10(18,19)20
InChIKeySGZAVIOILODGPJ-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one?
The IUPAC name of 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one (CID 14982080) is 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one.
What is the SMILES notation for 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one?
The canonical SMILES for 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one is O=C1C(F)(F)c2c(F)c(F)c(F)c(F)c2C1(F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one?
The InChIKey is SGZAVIOILODGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F10O/c11-3-1-2(4(12)6(14)5(3)13)9(16,17)7(21)8(1,15)10(18,19)20.
What are the key properties of 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one?
1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one has a molecular weight of 326.09 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,5,6,7-heptafluoro-3-(trifluoromethyl)inden-2-one is sourced from PubChem (CID 14982080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).