4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one

C10H3F7O — CID 171365766

IUPAC4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2c(F)c(F)c(F)c(F)c2C1C(F)(F)F
InChIInChI=1S/C10H3F7O/c11-6-2-1-3(18)5(10(15,16)17)4(2)7(12)9(14)8(6)13/h5H,1H2
InChIKeyBAOQEFUFOMWLCN-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.01
Rot. Bonds

About 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one

4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one (PubChem CID 171365766) has the molecular formula C10H3F7O and a molecular weight of 272.12 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one
PubChem CID171365766
Molecular FormulaC10H3F7O
Molecular Weight272.12 g/mol
Exact Mass272.01
IUPAC Name4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2c(F)c(F)c(F)c(F)c2C1C(F)(F)F
InChIInChI=1S/C10H3F7O/c11-6-2-1-3(18)5(10(15,16)17)4(2)7(12)9(14)8(6)13/h5H,1H2
InChIKeyBAOQEFUFOMWLCN-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.01
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 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one?
The IUPAC name of 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one (CID 171365766) is 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one.
What is the SMILES notation for 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one?
The canonical SMILES for 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one is O=C1Cc2c(F)c(F)c(F)c(F)c2C1C(F)(F)F.
What is the InChIKey of 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one?
The InChIKey is BAOQEFUFOMWLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F7O/c11-6-2-1-3(18)5(10(15,16)17)4(2)7(12)9(14)8(6)13/h5H,1H2.
What are the key properties of 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one?
4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one has a molecular weight of 272.12 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-1-(trifluoromethyl)-1,3-dihydroinden-2-one is sourced from PubChem (CID 171365766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).