4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol

C25H16F2O2 — CID 71280589

IUPAC4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(F)c(F)c32)cc1
InChIInChI=1S/C25H16F2O2/c26-22-14-13-20-19-3-1-2-4-21(19)25(23(20)24(22)27,15-5-9-17(28)10-6-15)16-7-11-18(29)12-8-16/h1-14,28-29H
InChIKeyWEXJNEXUTOPJHL-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.74
Rot. Bonds2

About 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol

4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 71280589) has the molecular formula C25H16F2O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID71280589
Molecular FormulaC25H16F2O2
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC Name4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(F)c(F)c32)cc1
InChIInChI=1S/C25H16F2O2/c26-22-14-13-20-19-3-1-2-4-21(19)25(23(20)24(22)27,15-5-9-17(28)10-6-15)16-7-11-18(29)12-8-16/h1-14,28-29H
InChIKeyWEXJNEXUTOPJHL-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 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol (CID 71280589) is 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(F)c(F)c32)cc1.
What is the InChIKey of 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is WEXJNEXUTOPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2O2/c26-22-14-13-20-19-3-1-2-4-21(19)25(23(20)24(22)27,15-5-9-17(28)10-6-15)16-7-11-18(29)12-8-16/h1-14,28-29H.
What are the key properties of 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
4-[1,2-difluoro-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 4-[1,2-difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 71280589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).