[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone

C19H18F3NO2 — CID 111472411

IUPAC[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C19H18F3NO2/c20-13-9-15(21)18(16(22)10-13)19(25)23-8-4-7-14(23)11-17(24)12-5-2-1-3-6-12/h1-3,5-6,9-10,14,17,24H,4,7-8,11H2
InChIKeyDNYLRGKTPYMLCK-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.83
Rot. Bonds4

About [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone

[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 111472411) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID111472411
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CCCC1CC(O)c1ccccc1
InChIInChI=1S/C19H18F3NO2/c20-13-9-15(21)18(16(22)10-13)19(25)23-8-4-7-14(23)11-17(24)12-5-2-1-3-6-12/h1-3,5-6,9-10,14,17,24H,4,7-8,11H2
InChIKeyDNYLRGKTPYMLCK-UHFFFAOYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone (CID 111472411) is [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)N1CCCC1CC(O)c1ccccc1.
What is the InChIKey of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is DNYLRGKTPYMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-13-9-15(21)18(16(22)10-13)19(25)23-8-4-7-14(23)11-17(24)12-5-2-1-3-6-12/h1-3,5-6,9-10,14,17,24H,4,7-8,11H2.
What are the key properties of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 349.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 111472411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).