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

C20H18F3NO3 — CID 59492603

IUPAC(3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C20H18F3NO3/c1-2-27-13-10-24(11-13)18(25)12-7-8-15-14-5-3-4-6-16(14)19(26,17(15)9-12)20(21,22)23/h3-9,13,26H,2,10-11H2,1H3
InChIKeyJNESOEZGGGCZCU-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.33
Rot. Bonds3

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

(3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492603) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492603
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name(3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C20H18F3NO3/c1-2-27-13-10-24(11-13)18(25)12-7-8-15-14-5-3-4-6-16(14)19(26,17(15)9-12)20(21,22)23/h3-9,13,26H,2,10-11H2,1H3
InChIKeyJNESOEZGGGCZCU-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.33
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
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
Methyl 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxylate
CID 59492779

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492603) is (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is CCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1.
What is the InChIKey of (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is JNESOEZGGGCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-2-27-13-10-24(11-13)18(25)12-7-8-15-14-5-3-4-6-16(14)19(26,17(15)9-12)20(21,22)23/h3-9,13,26H,2,10-11H2,1H3.
What are the key properties of (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
(3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 377.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).