9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide

C19H18F3NO3 — CID 59492561

IUPAC9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESO=C(NCCCCO)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)18(26)15-6-2-1-5-13(15)14-8-7-12(11-16(14)18)17(25)23-9-3-4-10-24/h1-2,5-8,11,24,26H,3-4,9-10H2,(H,23,25)
InChIKeyGGMREFZOYXQBJM-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.97
Rot. Bonds5

About 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide

9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide (PubChem CID 59492561) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide
PubChem CID59492561
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESO=C(NCCCCO)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)18(26)15-6-2-1-5-13(15)14-8-7-12(11-16(14)18)17(25)23-9-3-4-10-24/h1-2,5-8,11,24,26H,3-4,9-10H2,(H,23,25)
InChIKeyGGMREFZOYXQBJM-UHFFFAOYSA-N
XLogP2.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide (CID 59492561) is 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The canonical SMILES for 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide is O=C(NCCCCO)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide?
The InChIKey is GGMREFZOYXQBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-19(21,22)18(26)15-6-2-1-5-13(15)14-8-7-12(11-16(14)18)17(25)23-9-3-4-10-24/h1-2,5-8,11,24,26H,3-4,9-10H2,(H,23,25).
What are the key properties of 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide?
9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide is sourced from PubChem (CID 59492561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).