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

C25H16F2O2 — CID 68635919

IUPAC3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3F)c3ccccc3-c3ccccc32)c(F)c1
InChIInChI=1S/C25H16F2O2/c26-23-13-15(28)9-11-21(23)25(22-12-10-16(29)14-24(22)27)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,28-29H
InChIKeyRCCVAASDJWYVTQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.74
Rot. Bonds2

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

3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 68635919) has the molecular formula C25H16F2O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID68635919
Molecular FormulaC25H16F2O2
Molecular Weight386.40 g/mol
Exact Mass386.11
IUPAC Name3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3F)c3ccccc3-c3ccccc32)c(F)c1
InChIInChI=1S/C25H16F2O2/c26-23-13-15(28)9-11-21(23)25(22-12-10-16(29)14-24(22)27)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,28-29H
InChIKeyRCCVAASDJWYVTQ-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 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol (CID 68635919) is 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(O)cc3F)c3ccccc3-c3ccccc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is RCCVAASDJWYVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2O2/c26-23-13-15(28)9-11-21(23)25(22-12-10-16(29)14-24(22)27)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 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol?
3-fluoro-4-[9-(2-fluoro-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 3-fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 68635919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).