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

C17H14F3NO3 — CID 59492909

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO3/c1-21-15(22)9-24-10-6-7-12-11-4-2-3-5-13(11)16(23,14(12)8-10)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)
InChIKeyQOPAGKDQGBJVHI-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.59
Rot. Bonds3

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

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide (PubChem CID 59492909) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
PubChem CID59492909
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H14F3NO3/c1-21-15(22)9-24-10-6-7-12-11-4-2-3-5-13(11)16(23,14(12)8-10)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22)
InChIKeyQOPAGKDQGBJVHI-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide (CID 59492909) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide is CNC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
The InChIKey is QOPAGKDQGBJVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-21-15(22)9-24-10-6-7-12-11-4-2-3-5-13(11)16(23,14(12)8-10)17(18,19)20/h2-8,23H,9H2,1H3,(H,21,22).
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide has a molecular weight of 337.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N-methylacetamide is sourced from PubChem (CID 59492909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).