5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide

C21H22F3NO3 — CID 59492588

IUPAC5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
SMILESCN(C)C(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H22F3NO3/c1-25(2)19(26)9-5-6-12-28-14-10-11-16-15-7-3-4-8-17(15)20(27,18(16)13-14)21(22,23)24/h3-4,7-8,10-11,13,27H,5-6,9,12H2,1-2H3
InChIKeyZLILNVVTVADWCX-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.10
Rot. Bonds6

About 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide

5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide (PubChem CID 59492588) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide.

Molecular Properties

Compound Name5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
PubChem CID59492588
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
SMILESCN(C)C(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H22F3NO3/c1-25(2)19(26)9-5-6-12-28-14-10-11-16-15-7-3-4-8-17(15)20(27,18(16)13-14)21(22,23)24/h3-4,7-8,10-11,13,27H,5-6,9,12H2,1-2H3
InChIKeyZLILNVVTVADWCX-UHFFFAOYSA-N
XLogP4.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.10
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

tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
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
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
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
5-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoic acid
CID 59492626
2-Butoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492669

Frequently Asked Questions

What is the IUPAC name of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide?
The IUPAC name of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide (CID 59492588) is 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide.
What is the SMILES notation for 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide?
The canonical SMILES for 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide is CN(C)C(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide?
The InChIKey is ZLILNVVTVADWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-25(2)19(26)9-5-6-12-28-14-10-11-16-15-7-3-4-8-17(15)20(27,18(16)13-14)21(22,23)24/h3-4,7-8,10-11,13,27H,5-6,9,12H2,1-2H3.
What are the key properties of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide?
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide has a molecular weight of 393.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide is sourced from PubChem (CID 59492588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).