1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone

C16H11F3O2 — CID 59492906

IUPAC1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H11F3O2/c1-9(20)10-6-7-12-11-4-2-3-5-13(11)15(21,14(12)8-10)16(17,18)19/h2-8,21H,1H3
InChIKeyNJSCKSHQCBGUSI-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.67
Rot. Bonds1

About 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone

1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone (PubChem CID 59492906) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone.

Molecular Properties

Compound Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone
PubChem CID59492906
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C16H11F3O2/c1-9(20)10-6-7-12-11-4-2-3-5-13(11)15(21,14(12)8-10)16(17,18)19/h2-8,21H,1H3
InChIKeyNJSCKSHQCBGUSI-UHFFFAOYSA-N
XLogP3.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone?
The IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone (CID 59492906) is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone.
What is the SMILES notation for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone?
The canonical SMILES for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone is CC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone?
The InChIKey is NJSCKSHQCBGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c1-9(20)10-6-7-12-11-4-2-3-5-13(11)15(21,14(12)8-10)16(17,18)19/h2-8,21H,1H3.
What are the key properties of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone?
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone has a molecular weight of 292.26 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]ethanone is sourced from PubChem (CID 59492906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).