2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol

C28H18F6O3 — CID 126487265

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H18F6O3/c29-27(30,31)26(37,28(32,33)34)23-15-17(11-14-24(23)36)25(16-9-12-18(35)13-10-16)21-7-3-1-5-19(21)20-6-2-4-8-22(20)25/h1-15,35-37H
InChIKeyPJQDEBJJFDEAFN-UHFFFAOYSA-N
MW516.44 g/mol
LogP6.77
Rot. Bonds3

About 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol

2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 126487265) has the molecular formula C28H18F6O3 and a molecular weight of 516.44 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID126487265
Molecular FormulaC28H18F6O3
Molecular Weight516.44 g/mol
Exact Mass516.12
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H18F6O3/c29-27(30,31)26(37,28(32,33)34)23-15-17(11-14-24(23)36)25(16-9-12-18(35)13-10-16)21-7-3-1-5-19(21)20-6-2-4-8-22(20)25/h1-15,35-37H
InChIKeyPJQDEBJJFDEAFN-UHFFFAOYSA-N
XLogP6.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.44
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol with MolForge

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Related Compounds

4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
2-[2-amino-5-[9-[4-amino-3-(2-hydroxypropan-2-yl)phenyl]fluoren-9-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90246896
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
4-[9-(4-hydroxyphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71281305
4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol
CID 170563548
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
9,9-bis(3,4-ditert-butylphenyl)fluorene
CID 164732300
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
3-[9-[3-[9-(3-hydroxyphenyl)fluoren-9-yl]phenyl]fluoren-9-yl]phenol
CID 90136304
9,9-bis[4-amino-3-methyl-5-(trifluoromethyl)phenyl]fluoren-2-ol
CID 138680395

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol (CID 126487265) is 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is PJQDEBJJFDEAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F6O3/c29-27(30,31)26(37,28(32,33)34)23-15-17(11-14-24(23)36)25(16-9-12-18(35)13-10-16)21-7-3-1-5-19(21)20-6-2-4-8-22(20)25/h1-15,35-37H.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 516.44 g/mol, XLogP of 6.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 126487265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).