2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol

C25H16F2O2 — CID 71280590

IUPAC2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(F)c3F)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H16F2O2/c26-23-21(13-14-22(29)24(23)27)25(15-9-11-16(28)12-10-15)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,28-29H
InChIKeyUOCMYYQEAMRXLS-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.74
Rot. Bonds2

About 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol

2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 71280590) has the molecular formula C25H16F2O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID71280590
Molecular FormulaC25H16F2O2
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC Name2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)c(F)c3F)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H16F2O2/c26-23-21(13-14-22(29)24(23)27)25(15-9-11-16(28)12-10-15)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,28-29H
InChIKeyUOCMYYQEAMRXLS-UHFFFAOYSA-N
XLogP5.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol (CID 71280590) is 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(O)c(F)c3F)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is UOCMYYQEAMRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2O2/c26-23-21(13-14-22(29)24(23)27)25(15-9-11-16(28)12-10-15)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,28-29H.
What are the key properties of 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 386.40 g/mol, XLogP of 5.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 71280590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).