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

C20H20F3NO3 — CID 59492684

IUPAC4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO3/c1-24(2)18(25)8-5-11-27-13-9-10-15-14-6-3-4-7-16(14)19(26,17(15)12-13)20(21,22)23/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3
InChIKeyPJKJJYQKRCJUDO-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.71
Rot. Bonds5

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

4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide (PubChem CID 59492684) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide
PubChem CID59492684
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO3/c1-24(2)18(25)8-5-11-27-13-9-10-15-14-6-3-4-7-16(14)19(26,17(15)12-13)20(21,22)23/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3
InChIKeyPJKJJYQKRCJUDO-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid
CID 59492679
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
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
1-(2-Hydroxyethyl)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492513
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
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562

Frequently Asked Questions

What is the IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide?
The IUPAC name of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide (CID 59492684) is 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide is CN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide?
The InChIKey is PJKJJYQKRCJUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-24(2)18(25)8-5-11-27-13-9-10-15-14-6-3-4-7-16(14)19(26,17(15)12-13)20(21,22)23/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3.
What are the key properties of 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide?
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide has a molecular weight of 379.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide is sourced from PubChem (CID 59492684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).