2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone

C21H20F3NO3 — CID 59492959

IUPAC2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)20(27)17-7-3-2-6-15(17)16-9-8-14(12-18(16)20)28-13-19(26)25-10-4-1-5-11-25/h2-3,6-9,12,27H,1,4-5,10-11,13H2
InChIKeyNUYGZZSVPBDCRT-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.86
Rot. Bonds3

About 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone

2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone (PubChem CID 59492959) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone
PubChem CID59492959
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)20(27)17-7-3-2-6-15(17)16-9-8-14(12-18(16)20)28-13-19(26)25-10-4-1-5-11-25/h2-3,6-9,12,27H,1,4-5,10-11,13H2
InChIKeyNUYGZZSVPBDCRT-UHFFFAOYSA-N
XLogP3.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
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-1-piperidin-1-ylethanone?
The IUPAC name of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone (CID 59492959) is 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone is O=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCCC1.
What is the InChIKey of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone?
The InChIKey is NUYGZZSVPBDCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO3/c22-21(23,24)20(27)17-7-3-2-6-15(17)16-9-8-14(12-18(16)20)28-13-19(26)25-10-4-1-5-11-25/h2-3,6-9,12,27H,1,4-5,10-11,13H2.
What are the key properties of 2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone?
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-piperidin-1-ylethanone has a molecular weight of 391.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 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-1-piperidin-1-ylethanone is sourced from PubChem (CID 59492959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).