5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide

C19H18F3NO3 — CID 59493025

IUPAC5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide
SMILESNC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)18(25)15-6-2-1-5-13(15)14-9-8-12(11-16(14)18)26-10-4-3-7-17(23)24/h1-2,5-6,8-9,11,25H,3-4,7,10H2,(H2,23,24)
InChIKeyGNPUCIARHIGCCR-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.50
Rot. Bonds6

About 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide

5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide (PubChem CID 59493025) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide.

Molecular Properties

Compound Name5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide
PubChem CID59493025
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide
SMILESNC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)18(25)15-6-2-1-5-13(15)14-9-8-12(11-16(14)18)26-10-4-3-7-17(23)24/h1-2,5-6,8-9,11,25H,3-4,7,10H2,(H2,23,24)
InChIKeyGNPUCIARHIGCCR-UHFFFAOYSA-N
XLogP3.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
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
Ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
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
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
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
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675

Frequently Asked Questions

What is the IUPAC name of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide?
The IUPAC name of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide (CID 59493025) is 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide.
What is the SMILES notation for 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide?
The canonical SMILES for 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide is NC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide?
The InChIKey is GNPUCIARHIGCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-19(21,22)18(25)15-6-2-1-5-13(15)14-9-8-12(11-16(14)18)26-10-4-3-7-17(23)24/h1-2,5-6,8-9,11,25H,3-4,7,10H2,(H2,23,24).
What are the key properties of 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide?
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanamide has a molecular weight of 365.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 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]oxypentanamide is sourced from PubChem (CID 59493025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).