1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone

C19H17F3O2 — CID 71164727

IUPAC1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone
SMILESCC(=O)c1c(C)c(C)c2c(c1C)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H17F3O2/c1-9-10(2)16-13-7-5-6-8-14(13)18(24,19(20,21)22)17(16)11(3)15(9)12(4)23/h5-8,24H,1-4H3
InChIKeyVJEFTENKHJTVCX-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.59
Rot. Bonds1

About 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone

1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone (PubChem CID 71164727) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone.

Molecular Properties

Compound Name1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone
PubChem CID71164727
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone
SMILESCC(=O)c1c(C)c(C)c2c(c1C)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H17F3O2/c1-9-10(2)16-13-7-5-6-8-14(13)18(24,19(20,21)22)17(16)11(3)15(9)12(4)23/h5-8,24H,1-4H3
InChIKeyVJEFTENKHJTVCX-UHFFFAOYSA-N
XLogP4.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone?
The IUPAC name of 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone (CID 71164727) is 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone.
What is the SMILES notation for 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone?
The canonical SMILES for 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone is CC(=O)c1c(C)c(C)c2c(c1C)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone?
The InChIKey is VJEFTENKHJTVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O2/c1-9-10(2)16-13-7-5-6-8-14(13)18(24,19(20,21)22)17(16)11(3)15(9)12(4)23/h5-8,24H,1-4H3.
What are the key properties of 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone?
1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone has a molecular weight of 334.34 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-hydroxy-1,3,4-trimethyl-9-(trifluoromethyl)fluoren-2-yl]ethanone is sourced from PubChem (CID 71164727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).