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

C18H13ClF3NO2 — CID 59492847

IUPACazetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C18H13ClF3NO2/c19-14-9-10(16(24)23-6-3-7-23)8-13-15(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2
InChIKeyCSWVWAQONWYQRM-UHFFFAOYSA-N
MW367.75 g/mol
LogP3.96
Rot. Bonds1

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

azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492847) has the molecular formula C18H13ClF3NO2 and a molecular weight of 367.75 g/mol. Its IUPAC name is azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492847
Molecular FormulaC18H13ClF3NO2
Molecular Weight367.75 g/mol
Exact Mass367.06
IUPAC Nameazetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C18H13ClF3NO2/c19-14-9-10(16(24)23-6-3-7-23)8-13-15(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2
InChIKeyCSWVWAQONWYQRM-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492847) is azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is O=C(c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1.
What is the InChIKey of azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is CSWVWAQONWYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO2/c19-14-9-10(16(24)23-6-3-7-23)8-13-15(14)11-4-1-2-5-12(11)17(13,25)18(20,21)22/h1-2,4-5,8-9,25H,3,6-7H2.
What are the key properties of azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 367.75 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).