2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

C21H18F4N2O2 — CID 162559147

IUPAC2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESC[C@H](CO)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F4N2O2/c1-12(11-28)9-27-10-13(8-26-27)16-6-14(22)7-18-19(16)15-4-2-3-5-17(15)20(18,29)21(23,24)25/h2-8,10,12,28-29H,9,11H2,1H3/t12-,20?/m0/s1
InChIKeyUPOIFOXODWZPKG-SVZXGPMESA-N
MW406.38 g/mol
LogP4.10
Rot. Bonds4

About 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol

2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 162559147) has the molecular formula C21H18F4N2O2 and a molecular weight of 406.38 g/mol. Its IUPAC name is 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
PubChem CID162559147
Molecular FormulaC21H18F4N2O2
Molecular Weight406.38 g/mol
Exact Mass406.13
IUPAC Name2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
SMILESC[C@H](CO)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1
InChIInChI=1S/C21H18F4N2O2/c1-12(11-28)9-27-10-13(8-26-27)16-6-14(22)7-18-19(16)15-4-2-3-5-17(15)20(18,29)21(23,24)25/h2-8,10,12,28-29H,9,11H2,1H3/t12-,20?/m0/s1
InChIKeyUPOIFOXODWZPKG-SVZXGPMESA-N
XLogP4.10
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
5-[4-[(9R)-2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-2,2-dimethylpentanoic acid
CID 118516831
2-ethyl-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propane-1,3-diol
CID 59492758
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
2-fluoro-4-[1-[1-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492888
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-(4-fluorophenyl)propanehydrazide
CID 171491108
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-4-ylpropanehydrazide
CID 171491101
2-(2,2-dimethylpropyl)-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492934
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 162559121
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 171491118
2-(1-ethylpyrazol-4-yl)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492745
N-(azepan-1-yl)-2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 171491095

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol (CID 162559147) is 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is C[C@H](CO)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1.
What is the InChIKey of 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is UPOIFOXODWZPKG-SVZXGPMESA-N. The full InChI is InChI=1S/C21H18F4N2O2/c1-12(11-28)9-27-10-13(8-26-27)16-6-14(22)7-18-19(16)15-4-2-3-5-17(15)20(18,29)21(23,24)25/h2-8,10,12,28-29H,9,11H2,1H3/t12-,20?/m0/s1.
What are the key properties of 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol?
2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 406.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-[(2S)-3-hydroxy-2-methylpropyl]pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 162559147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).