1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

C22H20F3NO4 — CID 59492944

IUPAC1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C22H20F3NO4/c1-13(27)16-11-14(30-10-9-26-8-4-7-19(26)28)12-18-20(16)15-5-2-3-6-17(15)21(18,29)22(23,24)25/h2-3,5-6,11-12,29H,4,7-10H2,1H3
InChIKeyMKTHPCOYKSYQFS-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one

1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 59492944) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID59492944
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F
InChIInChI=1S/C22H20F3NO4/c1-13(27)16-11-14(30-10-9-26-8-4-7-19(26)28)12-18-20(16)15-5-2-3-6-17(15)21(18,29)22(23,24)25/h2-3,5-6,11-12,29H,4,7-10H2,1H3
InChIKeyMKTHPCOYKSYQFS-UHFFFAOYSA-N
XLogP3.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492513
1-[2-[9-Hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492553
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492559
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492699
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
1-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]piperidin-2-one
CID 59492756
(5S)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492828
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492945
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492960
N-(2-hydroxyethyl)-N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]acetamide
CID 59492965
5-(Hydroxymethyl)-1-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492975

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one (CID 59492944) is 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is CC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1C2(O)C(F)(F)F.
What is the InChIKey of 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MKTHPCOYKSYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO4/c1-13(27)16-11-14(30-10-9-26-8-4-7-19(26)28)12-18-20(16)15-5-2-3-6-17(15)21(18,29)22(23,24)25/h2-3,5-6,11-12,29H,4,7-10H2,1H3.
What are the key properties of 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 419.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-acetyl-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59492944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).