(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one

C20H18F3NO3 — CID 59492960

IUPAC(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H18F3NO3/c1-24-12(6-9-18(24)25)11-27-13-7-8-15-14-4-2-3-5-16(14)19(26,17(15)10-13)20(21,22)23/h2-5,7-8,10,12,26H,6,9,11H2,1H3/t12-,19?/m1/s1
InChIKeySHASPRRXWFWZEL-ISGGMURCSA-N
MW377.36 g/mol
LogP3.46
Rot. Bonds3

About (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one

(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one (PubChem CID 59492960) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
PubChem CID59492960
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H18F3NO3/c1-24-12(6-9-18(24)25)11-27-13-7-8-15-14-4-2-3-5-16(14)19(26,17(15)10-13)20(21,22)23/h2-5,7-8,10,12,26H,6,9,11H2,1H3/t12-,19?/m1/s1
InChIKeySHASPRRXWFWZEL-ISGGMURCSA-N
XLogP3.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
1-(2-Hydroxyethyl)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492513
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 59492540
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
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492596
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide
CID 59492684
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492699

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one (CID 59492960) is (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one is CN1C(=O)CC[C@@H]1COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one?
The InChIKey is SHASPRRXWFWZEL-ISGGMURCSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-24-12(6-9-18(24)25)11-27-13-7-8-15-14-4-2-3-5-16(14)19(26,17(15)10-13)20(21,22)23/h2-5,7-8,10,12,26H,6,9,11H2,1H3/t12-,19?/m1/s1.
What are the key properties of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one?
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one has a molecular weight of 377.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 59492960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).