2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol

C20H15F3O4 — CID 67228250

IUPAC2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3(O)C(F)(F)F
InChIInChI=1S/C20H15F3O4/c1-26-16-7-11-12(8-17(16)27-2)18-10-5-3-4-6-13(10)19(25,20(21,22)23)14(18)9-15(11)24/h3-9,24-25H,1-2H3
InChIKeyDKWDSINGBYQMGA-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.34
Rot. Bonds2

About 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol

2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol (PubChem CID 67228250) has the molecular formula C20H15F3O4 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol.

Molecular Properties

Compound Name2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
PubChem CID67228250
Molecular FormulaC20H15F3O4
Molecular Weight376.33 g/mol
Exact Mass376.09
IUPAC Name2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3(O)C(F)(F)F
InChIInChI=1S/C20H15F3O4/c1-26-16-7-11-12(8-17(16)27-2)18-10-5-3-4-6-13(10)19(25,20(21,22)23)14(18)9-15(11)24/h3-9,24-25H,1-2H3
InChIKeyDKWDSINGBYQMGA-UHFFFAOYSA-N
XLogP4.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol?
The IUPAC name of 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol (CID 67228250) is 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol.
What is the SMILES notation for 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol?
The canonical SMILES for 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol is COc1cc2c(O)cc3c(c2cc1OC)-c1ccccc1C3(O)C(F)(F)F.
What is the InChIKey of 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol?
The InChIKey is DKWDSINGBYQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O4/c1-26-16-7-11-12(8-17(16)27-2)18-10-5-3-4-6-13(10)19(25,20(21,22)23)14(18)9-15(11)24/h3-9,24-25H,1-2H3.
What are the key properties of 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol?
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol has a molecular weight of 376.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol is sourced from PubChem (CID 67228250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).