4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide

C23H18F3NO2 — CID 59492504

IUPAC4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C23H18F3NO2/c1-27(2)21(28)15-9-7-14(8-10-15)16-11-12-18-17-5-3-4-6-19(17)22(29,20(18)13-16)23(24,25)26/h3-13,29H,1-2H3
InChIKeyALKMHQLPHUPPPN-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.83
Rot. Bonds2

About 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (PubChem CID 59492504) has the molecular formula C23H18F3NO2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
PubChem CID59492504
Molecular FormulaC23H18F3NO2
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1
InChIInChI=1S/C23H18F3NO2/c1-27(2)21(28)15-9-7-14(8-10-15)16-11-12-18-17-5-3-4-6-19(17)22(29,20(18)13-16)23(24,25)26/h3-13,29H,1-2H3
InChIKeyALKMHQLPHUPPPN-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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Frequently Asked Questions

What is the IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide (CID 59492504) is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cc1.
What is the InChIKey of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
The InChIKey is ALKMHQLPHUPPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3NO2/c1-27(2)21(28)15-9-7-14(8-10-15)16-11-12-18-17-5-3-4-6-19(17)22(29,20(18)13-16)23(24,25)26/h3-13,29H,1-2H3.
What are the key properties of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide?
4-[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 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59492504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).