1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one

C18H14F3NO2 — CID 59492795

IUPAC1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)22-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2
InChIKeyONDOEOHVFSWVLR-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.59
Rot. Bonds1

About 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one

1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one (PubChem CID 59492795) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
PubChem CID59492795
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)22-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2
InChIKeyONDOEOHVFSWVLR-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59492520
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 59492640
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
CID 59492766
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
CID 59493091
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 59493106
Propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59493107
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
CID 59492480
2-Pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492541
N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]acetamide
CID 59492556
2-(2-Methylpyrrolidin-1-yl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492618
Methyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59492644
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxamide
CID 59492682

Frequently Asked Questions

What is the IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one (CID 59492795) is 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one is O=C1CCCN1c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one?
The InChIKey is ONDOEOHVFSWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-18(20,21)17(24)14-5-2-1-4-12(14)13-8-7-11(10-15(13)17)22-9-3-6-16(22)23/h1-2,4-5,7-8,10,24H,3,6,9H2.
What are the key properties of 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one?
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one has a molecular weight of 333.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 59492795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).