4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol

C15H11F3O3S — CID 59493010

IUPAC4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
SMILESCS(=O)(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H11F3O3S/c1-22(20,21)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11,19)15(16,17)18/h2-8,19H,1H3
InChIKeyMSBZKQSJWQTVAJ-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.87
Rot. Bonds1

About 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol

4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493010) has the molecular formula C15H11F3O3S and a molecular weight of 328.31 g/mol. Its IUPAC name is 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493010
Molecular FormulaC15H11F3O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
SMILESCS(=O)(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C15H11F3O3S/c1-22(20,21)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11,19)15(16,17)18/h2-8,19H,1H3
InChIKeyMSBZKQSJWQTVAJ-UHFFFAOYSA-N
XLogP2.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol (CID 59493010) is 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol is CS(=O)(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is MSBZKQSJWQTVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3S/c1-22(20,21)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11,19)15(16,17)18/h2-8,19H,1H3.
What are the key properties of 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol?
4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 328.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).