1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

C30H16Br4F12 — CID 161183668

IUPAC1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Br)cc1)(c1ccc(Br)cc1)C(F)(F)F.FC(F)(F)C(c1cccc(Br)c1)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/2C15H8Br2F6/c16-11-5-1-9(2-6-11)13(14(18,19)20,15(21,22)23)10-3-7-12(17)8-4-10;16-11-5-1-3-9(7-11)13(14(18,19)20,15(21,22)23)10-4-2-6-12(17)8-10/h2*1-8H
InChIKeyUSUPBRNACHNMMD-UHFFFAOYSA-N
MW924.05 g/mol
LogP13.24
Rot. Bonds4

About 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (PubChem CID 161183668) has the molecular formula C30H16Br4F12 and a molecular weight of 924.05 g/mol. Its IUPAC name is 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
PubChem CID161183668
Molecular FormulaC30H16Br4F12
Molecular Weight924.05 g/mol
Exact Mass919.78
IUPAC Name1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Br)cc1)(c1ccc(Br)cc1)C(F)(F)F.FC(F)(F)C(c1cccc(Br)c1)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/2C15H8Br2F6/c16-11-5-1-9(2-6-11)13(14(18,19)20,15(21,22)23)10-3-7-12(17)8-4-10;16-11-5-1-3-9(7-11)13(14(18,19)20,15(21,22)23)10-4-2-6-12(17)8-10/h2*1-8H
InChIKeyUSUPBRNACHNMMD-UHFFFAOYSA-N
XLogP13.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.05
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The IUPAC name of 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (CID 161183668) is 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.
What is the SMILES notation for 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The canonical SMILES for 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is FC(F)(F)C(c1ccc(Br)cc1)(c1ccc(Br)cc1)C(F)(F)F.FC(F)(F)C(c1cccc(Br)c1)(c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The InChIKey is USUPBRNACHNMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H8Br2F6/c16-11-5-1-9(2-6-11)13(14(18,19)20,15(21,22)23)10-3-7-12(17)8-4-10;16-11-5-1-3-9(7-11)13(14(18,19)20,15(21,22)23)10-4-2-6-12(17)8-10/h2*1-8H.
What are the key properties of 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene has a molecular weight of 924.05 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(3-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is sourced from PubChem (CID 161183668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).