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

C18H14F3NO3 — CID 59492735

IUPAC(3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)17(25)14-4-2-1-3-12(14)13-6-5-10(7-15(13)17)16(24)22-8-11(23)9-22/h1-7,11,23,25H,8-9H2
InChIKeyXJESHOCWAIMANM-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.28
Rot. Bonds1

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

(3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492735) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492735
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name(3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)17(25)14-4-2-1-3-12(14)13-6-5-10(7-15(13)17)16(24)22-8-11(23)9-22/h1-7,11,23,25H,8-9H2
InChIKeyXJESHOCWAIMANM-UHFFFAOYSA-N
XLogP2.28
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492735) is (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is XJESHOCWAIMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c19-18(20,21)17(25)14-4-2-1-3-12(14)13-6-5-10(7-15(13)17)16(24)22-8-11(23)9-22/h1-7,11,23,25H,8-9H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
(3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 349.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).