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

C10Cl3F9 — CID 12516166

IUPAC1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(Cl)(C(F)(F)F)C2(Cl)Cl
InChIInChI=1S/C10Cl3F9/c11-7(12)1-2(4(15)6(17)5(16)3(1)14)8(18,19)9(7,13)10(20,21)22
InChIKeyHMLOXUWQAZWMPP-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.52
Rot. Bonds

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

1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene (PubChem CID 12516166) has the molecular formula C10Cl3F9 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene
PubChem CID12516166
Molecular FormulaC10Cl3F9
Molecular Weight397.45 g/mol
Exact Mass395.89
IUPAC Name1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(Cl)(C(F)(F)F)C2(Cl)Cl
InChIInChI=1S/C10Cl3F9/c11-7(12)1-2(4(15)6(17)5(16)3(1)14)8(18,19)9(7,13)10(20,21)22
InChIKeyHMLOXUWQAZWMPP-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene with MolForge

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Related Compounds

1,1,3-Trichloroperfluoro-2-methylindene
CID 12516163
1-(Dichloromethylene)octa-fluoroindane
CID 12696019
2-Dichloromethyleneoctafluoroindan
CID 12696020
1,1-Dichloro-octafluoroindane
CID 13082394
1,1,3-Trichloropentafluoroindene
CID 85851665
2-Dichloromethylene-1,1,3,3-tetrachlorotetrafluoroindan
CID 12516165
1-Chloro-1,2,2,3,3,4,5,6,7-nonafluoro-2,3-dihydro-1H-indene
CID 12701531
1,3-Dichloro-1,2,2,3,4,5,6,7-octafluoro-2,3-dihydro-1H-indene
CID 13179245
1,1-Dichloroperfluoro-2-methylindene
CID 129808488
1,3-Dichloro-1-trifluoromethylheptafluoroindane
CID 631358
1,1,3,3-Tetrachloro-2,2,4,5,6,7-hexafluoro-2,3-dihydro-1H-indene
CID 12657440
1,1,5-Trichloro-2,2,3,3,4,6,7-heptafluoro-2,3-dihydro-1H-indene
CID 13179243

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
The IUPAC name of 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene (CID 12516166) is 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene.
What is the SMILES notation for 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
The canonical SMILES for 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(Cl)(C(F)(F)F)C2(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
The InChIKey is HMLOXUWQAZWMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl3F9/c11-7(12)1-2(4(15)6(17)5(16)3(1)14)8(18,19)9(7,13)10(20,21)22.
What are the key properties of 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene?
1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene has a molecular weight of 397.45 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-3,3,4,5,6,7-hexafluoro-2-(trifluoromethyl)indene is sourced from PubChem (CID 12516166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).