3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one

C27H27FO — CID 67048509

IUPAC3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)c(-c3ccc(F)cc3)cc1C2=O
InChIInChI=1S/C27H27FO/c1-26(2,3)17-9-12-19-21(13-17)22-15-24(27(4,5)6)20(14-23(22)25(19)29)16-7-10-18(28)11-8-16/h7-15H,1-6H3
InChIKeyYAUNYQTYSZUION-UHFFFAOYSA-N
MW386.51 g/mol
LogP7.30
Rot. Bonds1

About 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one

3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one (PubChem CID 67048509) has the molecular formula C27H27FO and a molecular weight of 386.51 g/mol. Its IUPAC name is 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one.

Molecular Properties

Compound Name3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one
PubChem CID67048509
Molecular FormulaC27H27FO
Molecular Weight386.51 g/mol
Exact Mass386.20
IUPAC Name3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)c(-c3ccc(F)cc3)cc1C2=O
InChIInChI=1S/C27H27FO/c1-26(2,3)17-9-12-19-21(13-17)22-15-24(27(4,5)6)20(14-23(22)25(19)29)16-7-10-18(28)11-8-16/h7-15H,1-6H3
InChIKeyYAUNYQTYSZUION-UHFFFAOYSA-N
XLogP7.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one?
The IUPAC name of 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one (CID 67048509) is 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one.
What is the SMILES notation for 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one?
The canonical SMILES for 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)c(-c3ccc(F)cc3)cc1C2=O.
What is the InChIKey of 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one?
The InChIKey is YAUNYQTYSZUION-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FO/c1-26(2,3)17-9-12-19-21(13-17)22-15-24(27(4,5)6)20(14-23(22)25(19)29)16-7-10-18(28)11-8-16/h7-15H,1-6H3.
What are the key properties of 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one?
3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one has a molecular weight of 386.51 g/mol, XLogP of 7.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-2-(4-fluorophenyl)fluoren-9-one is sourced from PubChem (CID 67048509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).