2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

C23H23F3N2O3 — CID 59492469

IUPAC2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N2O3/c1-28-14-15(13-27-28)18-11-16(31-10-6-2-5-9-29)12-20-21(18)17-7-3-4-8-19(17)22(20,30)23(24,25)26/h3-4,7-8,11-14,29-30H,2,5-6,9-10H2,1H3
InChIKeyZYMDWMCWOLHZIL-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.41
Rot. Bonds7

About 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol

2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59492469) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59492469
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILESCn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N2O3/c1-28-14-15(13-27-28)18-11-16(31-10-6-2-5-9-29)12-20-21(18)17-7-3-4-8-19(17)22(20,30)23(24,25)26/h3-4,7-8,11-14,29-30H,2,5-6,9-10H2,1H3
InChIKeyZYMDWMCWOLHZIL-UHFFFAOYSA-N
XLogP4.41
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol (CID 59492469) is 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is Cn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is ZYMDWMCWOLHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-28-14-15(13-27-28)18-11-16(31-10-6-2-5-9-29)12-20-21(18)17-7-3-4-8-19(17)22(20,30)23(24,25)26/h3-4,7-8,11-14,29-30H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol?
2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 432.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentoxy)-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59492469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).