2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol

C17H15F3O3 — CID 59492896

IUPAC2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H15F3O3/c18-17(19,20)16(22)14-5-2-1-4-12(14)13-7-6-11(10-15(13)16)23-9-3-8-21/h1-2,4-7,10,21-22H,3,8-9H2
InChIKeyUJFVBSGXUPRAOI-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol

2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492896) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492896
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol
SMILESOCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H15F3O3/c18-17(19,20)16(22)14-5-2-1-4-12(14)13-7-6-11(10-15(13)16)23-9-3-8-21/h1-2,4-7,10,21-22H,3,8-9H2
InChIKeyUJFVBSGXUPRAOI-UHFFFAOYSA-N
XLogP3.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol (CID 59492896) is 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol is OCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is UJFVBSGXUPRAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c18-17(19,20)16(22)14-5-2-1-4-12(14)13-7-6-11(10-15(13)16)23-9-3-8-21/h1-2,4-7,10,21-22H,3,8-9H2.
What are the key properties of 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol?
2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 324.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).