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

C19H16F3NO2 — CID 59492575

IUPACazetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C19H16F3NO2/c1-11-9-12(17(24)23-7-4-8-23)10-15-16(11)13-5-2-3-6-14(13)18(15,25)19(20,21)22/h2-3,5-6,9-10,25H,4,7-8H2,1H3
InChIKeyIFSCBPVTGKFEPZ-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.62
Rot. Bonds1

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

azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492575) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492575
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Nameazetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESCc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C19H16F3NO2/c1-11-9-12(17(24)23-7-4-8-23)10-15-16(11)13-5-2-3-6-14(13)18(15,25)19(20,21)22/h2-3,5-6,9-10,25H,4,7-8H2,1H3
InChIKeyIFSCBPVTGKFEPZ-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492575) is azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone is Cc1cc(C(=O)N2CCC2)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is IFSCBPVTGKFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-11-9-12(17(24)23-7-4-8-23)10-15-16(11)13-5-2-3-6-14(13)18(15,25)19(20,21)22/h2-3,5-6,9-10,25H,4,7-8H2,1H3.
What are the key properties of azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone?
azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 347.34 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).