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

C19H16F3NO3 — CID 59492945

IUPAC(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)N1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(25)15-4-2-1-3-13(15)14-7-6-12(9-16(14)18)26-10-11-5-8-17(24)23-11/h1-4,6-7,9,11,25H,5,8,10H2,(H,23,24)/t11-,18?/m1/s1
InChIKeyTVQVOQYCUOVNMU-SSJGJQFISA-N
MW363.34 g/mol
LogP3.12
Rot. Bonds3

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

(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 59492945) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
PubChem CID59492945
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)N1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(25)15-4-2-1-3-13(15)14-7-6-12(9-16(14)18)26-10-11-5-8-17(24)23-11/h1-4,6-7,9,11,25H,5,8,10H2,(H,23,24)/t11-,18?/m1/s1
InChIKeyTVQVOQYCUOVNMU-SSJGJQFISA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one (CID 59492945) is (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one is O=C1CC[C@H](COc2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)N1.
What is the InChIKey of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is TVQVOQYCUOVNMU-SSJGJQFISA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)18(25)15-4-2-1-3-13(15)14-7-6-12(9-16(14)18)26-10-11-5-8-17(24)23-11/h1-4,6-7,9,11,25H,5,8,10H2,(H,23,24)/t11-,18?/m1/s1.
What are the key properties of (5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one?
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 363.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 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]pyrrolidin-2-one is sourced from PubChem (CID 59492945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).