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

C20H20F3NO3 — CID 59493061

IUPAC9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCc1cc(C(=O)NCCCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C20H20F3NO3/c1-12-10-13(18(26)24-8-4-5-9-25)11-16-17(12)14-6-2-3-7-15(14)19(16,27)20(21,22)23/h2-3,6-7,10-11,25,27H,4-5,8-9H2,1H3,(H,24,26)
InChIKeyRSSKHDQQUJMHDA-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.28
Rot. Bonds5

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

9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide (PubChem CID 59493061) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide
PubChem CID59493061
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide
SMILESCc1cc(C(=O)NCCCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C20H20F3NO3/c1-12-10-13(18(26)24-8-4-5-9-25)11-16-17(12)14-6-2-3-7-15(14)19(16,27)20(21,22)23/h2-3,6-7,10-11,25,27H,4-5,8-9H2,1H3,(H,24,26)
InChIKeyRSSKHDQQUJMHDA-UHFFFAOYSA-N
XLogP3.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.28
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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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
2-Ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492498
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
CID 59492542
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
CID 59492586
(3-Ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492603
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
CID 59492625
2-(Azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492652
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
(3-Hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492735

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide?
The IUPAC name of 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide (CID 59493061) is 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide?
The canonical SMILES for 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide is Cc1cc(C(=O)NCCCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide?
The InChIKey is RSSKHDQQUJMHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-12-10-13(18(26)24-8-4-5-9-25)11-16-17(12)14-6-2-3-7-15(14)19(16,27)20(21,22)23/h2-3,6-7,10-11,25,27H,4-5,8-9H2,1H3,(H,24,26).
What are the key properties of 9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide?
9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.28, 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)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide is sourced from PubChem (CID 59493061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).