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

C10Cl2F10 — CID 631358

IUPAC1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(Cl)C(F)(F)C2(Cl)C(F)(F)F
InChIInChI=1S/C10Cl2F10/c11-7(10(20,21)22)1-2(8(12,17)9(7,18)19)4(14)6(16)5(15)3(1)13
InChIKeyUQCHWUJAVSSRJY-UHFFFAOYSA-N
MW381.00 g/mol
LogP5.25
Rot. Bonds

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

1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene (PubChem CID 631358) has the molecular formula C10Cl2F10 and a molecular weight of 381.00 g/mol. Its IUPAC name is 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene.

Molecular Properties

Compound Name1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene
PubChem CID631358
Molecular FormulaC10Cl2F10
Molecular Weight381.00 g/mol
Exact Mass379.92
IUPAC Name1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(Cl)C(F)(F)C2(Cl)C(F)(F)F
InChIInChI=1S/C10Cl2F10/c11-7(10(20,21)22)1-2(8(12,17)9(7,18)19)4(14)6(16)5(15)3(1)13
InChIKeyUQCHWUJAVSSRJY-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 55.25
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'}

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Related Compounds

1,1,2,2,3,4,5,6,7-Nonafluoro-3-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 12521072
1,2-Bis(trifluoromethyl)perfluoroindane
CID 630113
1,1,3-Trichloroperfluoro-2-methylindene
CID 12516163
3-Chloroperfluoro-2-methylindene
CID 12516164
1,1,2-Trichloroperfluoro-2-methylindan
CID 12516166
1-(Dichloromethylene)octa-fluoroindane
CID 12696019
2-Dichloromethyleneoctafluoroindan
CID 12696020
1,1-Dichloro-octafluoroindane
CID 13082394
Perfluoro-1-vinylindan
CID 13801708
Perfluoro-1-isopropylindan
CID 15175711
1,1,3-Trichloropentafluoroindene
CID 85851665
2-Dichloromethylene-1,1,3,3-tetrachlorotetrafluoroindan
CID 12516165

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene?
The IUPAC name of 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene (CID 631358) is 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene.
What is the SMILES notation for 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene?
The canonical SMILES for 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene is Fc1c(F)c(F)c2c(c1F)C(F)(Cl)C(F)(F)C2(Cl)C(F)(F)F.
What is the InChIKey of 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene?
The InChIKey is UQCHWUJAVSSRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F10/c11-7(10(20,21)22)1-2(8(12,17)9(7,18)19)4(14)6(16)5(15)3(1)13.
What are the key properties of 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene?
1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene has a molecular weight of 381.00 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,2,2,4,5,6,7-heptafluoro-3-(trifluoromethyl)indene is sourced from PubChem (CID 631358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).