1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene

C25H16F12 — CID 143291553

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
SMILESCc1ccc(C(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C25H16F12/c1-15-7-9-17(10-8-15)21(24(32,33)34,25(35,36)37)19-13-11-18(12-14-19)20(22(26,27)28,23(29,30)31)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyBVUJRRDDJSAXPL-UHFFFAOYSA-N
MW544.38 g/mol
LogP8.82
Rot. Bonds4

About 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene

1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene (PubChem CID 143291553) has the molecular formula C25H16F12 and a molecular weight of 544.38 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
PubChem CID143291553
Molecular FormulaC25H16F12
Molecular Weight544.38 g/mol
Exact Mass544.11
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
SMILESCc1ccc(C(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C25H16F12/c1-15-7-9-17(10-8-15)21(24(32,33)34,25(35,36)37)19-13-11-18(12-14-19)20(22(26,27)28,23(29,30)31)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyBVUJRRDDJSAXPL-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.38
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene with MolForge

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58986519
azane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene
CID 18759354
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 14985084
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
[4-[2-(4-benzoyloxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 4-methylbenzoate
CID 158568545
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
ethane;toluene;trifluoromethylbenzene
CID 161105309
1-bromo-4-(4-bromophenoxy)benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 91234372
4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
CID 129147379

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene (CID 143291553) is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene is Cc1ccc(C(c2ccc(C(c3ccccc3)(C(F)(F)F)C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene?
The InChIKey is BVUJRRDDJSAXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F12/c1-15-7-9-17(10-8-15)21(24(32,33)34,25(35,36)37)19-13-11-18(12-14-19)20(22(26,27)28,23(29,30)31)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene?
1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene has a molecular weight of 544.38 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene is sourced from PubChem (CID 143291553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).