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

C20H12ClF3O — CID 59492512

IUPAC2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C20H12ClF3O/c21-14-8-5-12(6-9-14)13-7-10-16-15-3-1-2-4-17(15)19(25,18(16)11-13)20(22,23)24/h1-11,25H
InChIKeyJRTUBNDHIAPIRV-UHFFFAOYSA-N
MW360.76 g/mol
LogP5.79
Rot. Bonds1

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

2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492512) has the molecular formula C20H12ClF3O and a molecular weight of 360.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492512
Molecular FormulaC20H12ClF3O
Molecular Weight360.76 g/mol
Exact Mass360.05
IUPAC Name2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C20H12ClF3O/c21-14-8-5-12(6-9-14)13-7-10-16-15-3-1-2-4-17(15)19(25,18(16)11-13)20(22,23)24/h1-11,25H
InChIKeyJRTUBNDHIAPIRV-UHFFFAOYSA-N
XLogP5.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.76
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492512) is 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is JRTUBNDHIAPIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3O/c21-14-8-5-12(6-9-14)13-7-10-16-15-3-1-2-4-17(15)19(25,18(16)11-13)20(22,23)24/h1-11,25H.
What are the key properties of 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol?
2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 360.76 g/mol, XLogP of 5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).