1-[4-(trifluoromethyl)phenyl]fluoren-9-one

C20H11F3O — CID 135034559

IUPAC1-[4-(trifluoromethyl)phenyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(-c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C20H11F3O/c21-20(22,23)13-10-8-12(9-11-13)14-6-3-7-16-15-4-1-2-5-17(15)19(24)18(14)16/h1-11H
InChIKeyXRZGWPAPWYTJEZ-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.58
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]fluoren-9-one

1-[4-(trifluoromethyl)phenyl]fluoren-9-one (PubChem CID 135034559) has the molecular formula C20H11F3O and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]fluoren-9-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]fluoren-9-one
PubChem CID135034559
Molecular FormulaC20H11F3O
Molecular Weight324.30 g/mol
Exact Mass324.08
IUPAC Name1-[4-(trifluoromethyl)phenyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(-c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C20H11F3O/c21-20(22,23)13-10-8-12(9-11-13)14-6-3-7-16-15-4-1-2-5-17(15)19(24)18(14)16/h1-11H
InChIKeyXRZGWPAPWYTJEZ-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]fluoren-9-one?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]fluoren-9-one (CID 135034559) is 1-[4-(trifluoromethyl)phenyl]fluoren-9-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]fluoren-9-one?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]fluoren-9-one is O=C1c2ccccc2-c2cccc(-c3ccc(C(F)(F)F)cc3)c21.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]fluoren-9-one?
The InChIKey is XRZGWPAPWYTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3O/c21-20(22,23)13-10-8-12(9-11-13)14-6-3-7-16-15-4-1-2-5-17(15)19(24)18(14)16/h1-11H.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]fluoren-9-one?
1-[4-(trifluoromethyl)phenyl]fluoren-9-one has a molecular weight of 324.30 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]fluoren-9-one is sourced from PubChem (CID 135034559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).