2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide

C23H18F3NO2 — CID 59492546

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H18F3NO2/c1-27(2)21(28)18-9-4-3-7-15(18)14-11-12-17-16-8-5-6-10-19(16)22(29,20(17)13-14)23(24,25)26/h3-13,29H,1-2H3
InChIKeyAFSOXOVBEURNNA-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.83
Rot. Bonds2

About 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (PubChem CID 59492546) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
PubChem CID59492546
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C23H18F3NO2/c1-27(2)21(28)18-9-4-3-7-15(18)14-11-12-17-16-8-5-6-10-19(16)22(29,20(17)13-14)23(24,25)26/h3-13,29H,1-2H3
InChIKeyAFSOXOVBEURNNA-UHFFFAOYSA-N
XLogP4.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide
CID 143972670
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzoic acid
CID 59493131
2-(4-fluorophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492604
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
4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
9-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)fluoren-9-ol
CID 59493120
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
CID 59492579
9-[difluoro(phosphanyl)methyl]-9-hydroxy-N-methyl-N-phenylfluorene-2-carboxamide
CID 143972688
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809

Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (CID 59492546) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1-c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The InChIKey is AFSOXOVBEURNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2/c1-27(2)21(28)18-9-4-3-7-15(18)14-11-12-17-16-8-5-6-10-19(16)22(29,20(17)13-14)23(24,25)26/h3-13,29H,1-2H3.
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide has a molecular weight of 397.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59492546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).