2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide

C17H13BrF3NO3 — CID 59492672

IUPAC2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13BrF3NO3/c1-22-14(23)8-25-9-6-12-15(13(18)7-9)10-4-2-3-5-11(10)16(12,24)17(19,20)21/h2-7,24H,8H2,1H3,(H,22,23)
InChIKeyZQWRFTHLGZCYOR-UHFFFAOYSA-N
MW416.19 g/mol
LogP3.35
Rot. Bonds3

About 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide

2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide (PubChem CID 59492672) has the molecular formula C17H13BrF3NO3 and a molecular weight of 416.19 g/mol. Its IUPAC name is 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
PubChem CID59492672
Molecular FormulaC17H13BrF3NO3
Molecular Weight416.19 g/mol
Exact Mass415.00
IUPAC Name2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13BrF3NO3/c1-22-14(23)8-25-9-6-12-15(13(18)7-9)10-4-2-3-5-11(10)16(12,24)17(19,20)21/h2-7,24H,8H2,1H3,(H,22,23)
InChIKeyZQWRFTHLGZCYOR-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
1-(Azetidin-1-yl)-2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492621
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
CID 59492909
Methyl 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
CID 59492911
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]acetamide
CID 59492623
N-(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59493173
2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-penta-1,3-dien-3-ylacetamide
CID 143972537
Ethenyl 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetate
CID 146692337
2-[3-bromo-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
CID 155686138
2-[3-bromo-4-[[3-[1-(4-fluorophenyl)ethyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
CID 155686182
1-[4-Bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutan-2-one
CID 159298887

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide (CID 59492672) is 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide is CNC(=O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
The InChIKey is ZQWRFTHLGZCYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3NO3/c1-22-14(23)8-25-9-6-12-15(13(18)7-9)10-4-2-3-5-11(10)16(12,24)17(19,20)21/h2-7,24H,8H2,1H3,(H,22,23).
What are the key properties of 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide has a molecular weight of 416.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide is sourced from PubChem (CID 59492672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).