3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide

C19H18F3NO3 — CID 59492562

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO3/c1-23(2)17(24)9-10-26-12-7-8-14-13-5-3-4-6-15(13)18(25,16(14)11-12)19(20,21)22/h3-8,11,25H,9-10H2,1-2H3
InChIKeyRAJSEQCWCGECIR-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.32
Rot. Bonds4

About 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide (PubChem CID 59492562) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
PubChem CID59492562
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO3/c1-23(2)17(24)9-10-26-12-7-8-14-13-5-3-4-6-15(13)18(25,16(14)11-12)19(20,21)22/h3-8,11,25H,9-10H2,1-2H3
InChIKeyRAJSEQCWCGECIR-UHFFFAOYSA-N
XLogP3.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one
CID 59492478
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 59492540
1-[2-[9-Hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492553
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492559
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492596
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614

Frequently Asked Questions

What is the IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide (CID 59492562) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide is CN(C)C(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide?
The InChIKey is RAJSEQCWCGECIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-23(2)17(24)9-10-26-12-7-8-14-13-5-3-4-6-15(13)18(25,16(14)11-12)19(20,21)22/h3-8,11,25H,9-10H2,1-2H3.
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide?
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide has a molecular weight of 365.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide is sourced from PubChem (CID 59492562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).