1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone

C19H15BrF3NO3 — CID 59492621

IUPAC1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
SMILESO=C(COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C19H15BrF3NO3/c20-15-9-11(27-10-16(25)24-6-3-7-24)8-14-17(15)12-4-1-2-5-13(12)18(14,26)19(21,22)23/h1-2,4-5,8-9,26H,3,6-7,10H2
InChIKeyMKUSEZLULSJIBH-UHFFFAOYSA-N
MW442.23 g/mol
LogP3.84
Rot. Bonds3

About 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone

1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone (PubChem CID 59492621) has the molecular formula C19H15BrF3NO3 and a molecular weight of 442.23 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
PubChem CID59492621
Molecular FormulaC19H15BrF3NO3
Molecular Weight442.23 g/mol
Exact Mass441.02
IUPAC Name1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
SMILESO=C(COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1
InChIInChI=1S/C19H15BrF3NO3/c20-15-9-11(27-10-16(25)24-6-3-7-24)8-14-17(15)12-4-1-2-5-13(12)18(14,26)19(21,22)23/h1-2,4-5,8-9,26H,3,6-7,10H2
InChIKeyMKUSEZLULSJIBH-UHFFFAOYSA-N
XLogP3.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
CID 59492672
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
1-(Azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492759
2-hydroxy-N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492942
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone
CID 59492959
4-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]morpholin-3-one
CID 59493149
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropyl]-N-methylacetamide
CID 59492554
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-morpholin-4-ylethanone
CID 59492557
N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492663
N-(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
CID 59492895

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone (CID 59492621) is 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone is O=C(COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
The InChIKey is MKUSEZLULSJIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3NO3/c20-15-9-11(27-10-16(25)24-6-3-7-24)8-14-17(15)12-4-1-2-5-13(12)18(14,26)19(21,22)23/h1-2,4-5,8-9,26H,3,6-7,10H2.
What are the key properties of 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone?
1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone has a molecular weight of 442.23 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone is sourced from PubChem (CID 59492621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).