[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone

C19H16F3NO3 — CID 59492932

IUPAC[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C19H16F3NO3/c1-26-12-9-23(10-12)17(24)11-6-7-14-13-4-2-3-5-15(13)18(25,16(14)8-11)19(20,21)22/h2-8,12,25H,9-10H2,1H3
InChIKeyACTKFGBVQOWIRY-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.94
Rot. Bonds2

About [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone

[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone (PubChem CID 59492932) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone
PubChem CID59492932
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C19H16F3NO3/c1-26-12-9-23(10-12)17(24)11-6-7-14-13-4-2-3-5-15(13)18(25,16(14)8-11)19(20,21)22/h2-8,12,25H,9-10H2,1H3
InChIKeyACTKFGBVQOWIRY-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492504
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
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 59492641
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
2-(Azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
CID 59492773

Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone (CID 59492932) is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1.
What is the InChIKey of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is ACTKFGBVQOWIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-26-12-9-23(10-12)17(24)11-6-7-14-13-4-2-3-5-15(13)18(25,16(14)8-11)19(20,21)22/h2-8,12,25H,9-10H2,1H3.
What are the key properties of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone?
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 363.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 59492932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).