4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol

C27H16F6O2 — CID 87557614

IUPAC4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(C2(c3ccc(O)c(C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C27H16F6O2/c28-26(29,30)21-13-15(9-11-23(21)34)25(16-10-12-24(35)22(14-16)27(31,32)33)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,34-35H
InChIKeySPVOINNFJSMDDX-UHFFFAOYSA-N
MW486.41 g/mol
LogP7.50
Rot. Bonds2

About 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol

4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol (PubChem CID 87557614) has the molecular formula C27H16F6O2 and a molecular weight of 486.41 g/mol. Its IUPAC name is 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
PubChem CID87557614
Molecular FormulaC27H16F6O2
Molecular Weight486.41 g/mol
Exact Mass486.11
IUPAC Name4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
SMILESOc1ccc(C2(c3ccc(O)c(C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(F)(F)F
InChIInChI=1S/C27H16F6O2/c28-26(29,30)21-13-15(9-11-23(21)34)25(16-10-12-24(35)22(14-16)27(31,32)33)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,34-35H
InChIKeySPVOINNFJSMDDX-UHFFFAOYSA-N
XLogP7.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol (CID 87557614) is 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol is Oc1ccc(C2(c3ccc(O)c(C(F)(F)F)c3)c3ccccc3-c3ccccc32)cc1C(F)(F)F.
What is the InChIKey of 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol?
The InChIKey is SPVOINNFJSMDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F6O2/c28-26(29,30)21-13-15(9-11-23(21)34)25(16-10-12-24(35)22(14-16)27(31,32)33)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,34-35H.
What are the key properties of 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol?
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol has a molecular weight of 486.41 g/mol, XLogP of 7.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 87557614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).