[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone

C21H13F3O2 — CID 59492749

IUPAC[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H13F3O2/c22-21(23,24)20(26)17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)19(25)13-6-2-1-3-7-13/h1-12,26H
InChIKeyBCESKXHCRYSDTM-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.70
Rot. Bonds2

About [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone

[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone (PubChem CID 59492749) has the molecular formula C21H13F3O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone
PubChem CID59492749
Molecular FormulaC21H13F3O2
Molecular Weight354.33 g/mol
Exact Mass354.09
IUPAC Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H13F3O2/c22-21(23,24)20(26)17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)19(25)13-6-2-1-3-7-13/h1-12,26H
InChIKeyBCESKXHCRYSDTM-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone?
The IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone (CID 59492749) is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone.
What is the SMILES notation for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone?
The canonical SMILES for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone?
The InChIKey is BCESKXHCRYSDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3O2/c22-21(23,24)20(26)17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)19(25)13-6-2-1-3-7-13/h1-12,26H.
What are the key properties of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone?
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone has a molecular weight of 354.33 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-phenylmethanone is sourced from PubChem (CID 59492749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).