9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol

C20H17F3N2O — CID 59493120

IUPAC9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H17F3N2O/c1-11-18(12(2)25(3)24-11)13-8-9-15-14-6-4-5-7-16(14)19(26,17(15)10-13)20(21,22)23/h4-10,26H,1-3H3
InChIKeyYJJSLNXEVHRLLG-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.48
Rot. Bonds1

About 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol

9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol (PubChem CID 59493120) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol.

Molecular Properties

Compound Name9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
PubChem CID59493120
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
SMILESCc1nn(C)c(C)c1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H17F3N2O/c1-11-18(12(2)25(3)24-11)13-8-9-15-14-6-4-5-7-16(14)19(26,17(15)10-13)20(21,22)23/h4-10,26H,1-3H3
InChIKeyYJJSLNXEVHRLLG-UHFFFAOYSA-N
XLogP4.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492546
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
1-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]phenyl]propan-1-one
CID 149259882
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492649
3-methyl-5-(trifluoromethyl)indeno[1,2-b]pyridin-5-ol
CID 59492612
2-[9,9-bis(trifluoromethyl)fluoren-2-yl]-7-methyl-9,9-bis(trifluoromethyl)fluorene
CID 59512925
4,9-bis(trifluoromethyl)fluoren-9-ol
CID 59492966
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-9-(trifluoromethyl)fluoren-9-ol
CID 46191615
4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
4-chloro-2-phenyl-9-(trifluoromethyl)fluoren-9-ol
CID 70902688
4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 162559121

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol?
The IUPAC name of 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol (CID 59493120) is 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol.
What is the SMILES notation for 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol?
The canonical SMILES for 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol is Cc1nn(C)c(C)c1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol?
The InChIKey is YJJSLNXEVHRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-11-18(12(2)25(3)24-11)13-8-9-15-14-6-4-5-7-16(14)19(26,17(15)10-13)20(21,22)23/h4-10,26H,1-3H3.
What are the key properties of 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol?
9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol has a molecular weight of 358.36 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol is sourced from PubChem (CID 59493120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).