2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol

C21H15F3O — CID 59492810

IUPAC2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H15F3O/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20(25,19(17)12-15)21(22,23)24/h2-12,25H,1H3
InChIKeyLZXMAOHOGXRTLH-UHFFFAOYSA-N
MW340.34 g/mol
LogP5.44
Rot. Bonds1

About 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol

2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492810) has the molecular formula C21H15F3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492810
Molecular FormulaC21H15F3O
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C21H15F3O/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20(25,19(17)12-15)21(22,23)24/h2-12,25H,1H3
InChIKeyLZXMAOHOGXRTLH-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.34
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492810) is 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol is Cc1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is LZXMAOHOGXRTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20(25,19(17)12-15)21(22,23)24/h2-12,25H,1H3.
What are the key properties of 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol?
2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 340.34 g/mol, XLogP of 5.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).