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

C18H13ClF3NO3 — CID 59492857

IUPAC[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1
InChIInChI=1S/C18H13ClF3NO3/c19-14-6-9(16(25)23-7-10(24)8-23)5-13-15(14)11-3-1-2-4-12(11)17(13,26)18(20,21)22/h1-6,10,24,26H,7-8H2
InChIKeyUXGKINYHMPFDCK-UHFFFAOYSA-N
MW383.75 g/mol
LogP2.94
Rot. Bonds1

About [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone

[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 59492857) has the molecular formula C18H13ClF3NO3 and a molecular weight of 383.75 g/mol. Its IUPAC name is [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID59492857
Molecular FormulaC18H13ClF3NO3
Molecular Weight383.75 g/mol
Exact Mass383.05
IUPAC Name[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1
InChIInChI=1S/C18H13ClF3NO3/c19-14-6-9(16(25)23-7-10(24)8-23)5-13-15(14)11-3-1-2-4-12(11)17(13,26)18(20,21)22/h1-6,10,24,26H,7-8H2
InChIKeyUXGKINYHMPFDCK-UHFFFAOYSA-N
XLogP2.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
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
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 59492641
(3-Hydroxyazetidin-1-yl)-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492735
Azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492847
[3-(Hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492850
[3-(2-Hydroxyethoxy)azetidin-1-yl]-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492877
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N,N-dimethylbenzamide
CID 59492927
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 59492932
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(2-methylazetidin-1-yl)methanone
CID 59492981

Frequently Asked Questions

What is the IUPAC name of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 59492857) is [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(O)C1.
What is the InChIKey of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is UXGKINYHMPFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO3/c19-14-6-9(16(25)23-7-10(24)8-23)5-13-15(14)11-3-1-2-4-12(11)17(13,26)18(20,21)22/h1-6,10,24,26H,7-8H2.
What are the key properties of [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 383.75 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 59492857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).