1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene

C10Cl3F11 — CID 13416585

IUPAC1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
SMILESFc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C10Cl3F11/c11-8(12,13)2-5(16)3(14)1(4(15)6(2)17)7(18,9(19,20)21)10(22,23)24
InChIKeyHVSWWIQGNBXLNG-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.36
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene

1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene (PubChem CID 13416585) has the molecular formula C10Cl3F11 and a molecular weight of 435.45 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
PubChem CID13416585
Molecular FormulaC10Cl3F11
Molecular Weight435.45 g/mol
Exact Mass433.89
IUPAC Name1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
SMILESFc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C10Cl3F11/c11-8(12,13)2-5(16)3(14)1(4(15)6(2)17)7(18,9(19,20)21)10(22,23)24
InChIKeyHVSWWIQGNBXLNG-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.36
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'}

Analyze 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Heptafluoroisopropyl)tetrafluorobenzotrifluoride
CID 2776193
1,2,3,4,5-Pentafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 15395657
1,2,3,4,5-Pentafluoro-6-(trichloromethyl)benzene
CID 2782621
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
1,3-Bis(trichloromethyl)tetrafluorobenzene
CID 631627
1,4-Bis(trichloromethyl)tetrafluorobenzene
CID 631628
1,1,3-Trichloroperfluoro-2-methylindene
CID 12516163
3-Chloroperfluoro-2-methylindene
CID 12516164
1,2-Dichloroperfluoro-1,4-dihydronaphthalene
CID 12696022
1-(1-Chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
CID 12701532
Hexafluorobenzylidene dichloride
CID 13416590
1,1,3-Trichloropentafluoroindene
CID 85851665

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene (CID 13416585) is 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene is Fc1c(F)c(C(F)(C(F)(F)F)C(F)(F)F)c(F)c(F)c1C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene?
The InChIKey is HVSWWIQGNBXLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl3F11/c11-8(12,13)2-5(16)3(14)1(4(15)6(2)17)7(18,9(19,20)21)10(22,23)24.
What are the key properties of 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene?
1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene has a molecular weight of 435.45 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene is sourced from PubChem (CID 13416585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).