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

C21H20F3NO3 — CID 59492586

IUPAC[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
SMILESCCCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C21H20F3NO3/c1-2-9-28-14-11-25(12-14)19(26)13-7-8-16-15-5-3-4-6-17(15)20(27,18(16)10-13)21(22,23)24/h3-8,10,14,27H,2,9,11-12H2,1H3
InChIKeyAAPXYVKOIPAVAP-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.72
Rot. Bonds4

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

[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone (PubChem CID 59492586) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
PubChem CID59492586
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone
SMILESCCCOC1CN(C(=O)c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C21H20F3NO3/c1-2-9-28-14-11-25(12-14)19(26)13-7-8-16-15-5-3-4-6-17(15)20(27,18(16)10-13)21(22,23)24/h3-8,10,14,27H,2,9,11-12H2,1H3
InChIKeyAAPXYVKOIPAVAP-UHFFFAOYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone?
The IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone (CID 59492586) is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone.
What is the SMILES notation for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone?
The canonical SMILES for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone is CCCOC1CN(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-propoxyazetidin-1-yl)methanone?
The InChIKey is AAPXYVKOIPAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO3/c1-2-9-28-14-11-25(12-14)19(26)13-7-8-16-15-5-3-4-6-17(15)20(27,18(16)10-13)21(22,23)24/h3-8,10,14,27H,2,9,11-12H2,1H3.
What are the key properties of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone?
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-propoxyazetidin-1-yl)methanone has a molecular weight of 391.39 g/mol, XLogP of 3.72, 4 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-propoxyazetidin-1-yl)methanone is sourced from PubChem (CID 59492586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).