1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one

C21H20F3NO3 — CID 162559119

IUPAC1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one
SMILESO=C1CCCN(CCOc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)20(27)18-6-2-1-5-16(18)17-8-7-15(12-19(17)20)28-11-10-25-9-3-4-14(26)13-25/h1-2,5-8,12,27H,3-4,9-11,13H2
InChIKeyITFCHDCTZNWUBT-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one

1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one (PubChem CID 162559119) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one.

Molecular Properties

Compound Name1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one
PubChem CID162559119
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one
SMILESO=C1CCCN(CCOc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)20(27)18-6-2-1-5-16(18)17-8-7-15(12-19(17)20)28-11-10-25-9-3-4-14(26)13-25/h1-2,5-8,12,27H,3-4,9-11,13H2
InChIKeyITFCHDCTZNWUBT-UHFFFAOYSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]imidazolidin-2-one
CID 59493105
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxybutane-1,1-diol
CID 162559010
6-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyhexanoic acid
CID 59492967
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
CID 59492579
5-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxypentanoic acid
CID 143972678
1-[2-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492983
1-[2-[9-hydroxy-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59493033
4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]oxy-N,N-dimethylbutanamide
CID 143972431
2-[9-[4-(2-piperidin-1-ylethoxy)phenyl]fluoren-9-yl]phenol
CID 174662801
10-methyl-9-phenyl-2-(2-pyrrolidin-1-ylethoxy)acridin-9-ol
CID 57048699

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one?
The IUPAC name of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one (CID 162559119) is 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one.
What is the SMILES notation for 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one?
The canonical SMILES for 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one is O=C1CCCN(CCOc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1.
What is the InChIKey of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one?
The InChIKey is ITFCHDCTZNWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO3/c22-21(23,24)20(27)18-6-2-1-5-16(18)17-8-7-15(12-19(17)20)28-11-10-25-9-3-4-14(26)13-25/h1-2,5-8,12,27H,3-4,9-11,13H2.
What are the key properties of 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one?
1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one has a molecular weight of 391.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-3-one is sourced from PubChem (CID 162559119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).