2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol

C16H13F3O — CID 59492589

IUPAC2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1ccc2c(c1)C(O)(C(F)(F)F)c1cccc(C)c1-2
InChIInChI=1S/C16H13F3O/c1-9-6-7-11-13(8-9)15(20,16(17,18)19)12-5-3-4-10(2)14(11)12/h3-8,20H,1-2H3
InChIKeyDOTULEYKPUTOIA-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.08
Rot. Bonds

About 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol

2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492589) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492589
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1ccc2c(c1)C(O)(C(F)(F)F)c1cccc(C)c1-2
InChIInChI=1S/C16H13F3O/c1-9-6-7-11-13(8-9)15(20,16(17,18)19)12-5-3-4-10(2)14(11)12/h3-8,20H,1-2H3
InChIKeyDOTULEYKPUTOIA-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol (CID 59492589) is 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol is Cc1ccc2c(c1)C(O)(C(F)(F)F)c1cccc(C)c1-2.
What is the InChIKey of 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is DOTULEYKPUTOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-9-6-7-11-13(8-9)15(20,16(17,18)19)12-5-3-4-10(2)14(11)12/h3-8,20H,1-2H3.
What are the key properties of 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol?
2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 278.27 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).