[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone

C17H17F3N2O2 — CID 128989882

IUPAC[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc[nH]c1C(=O)N1CC(O)CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-10-6-7-21-15(10)16(24)22-9-11(23)8-14(22)12-4-2-3-5-13(12)17(18,19)20/h2-7,11,14,21,23H,8-9H2,1H3
InChIKeyJBRCZVYJIQHLBL-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.29
Rot. Bonds2

About [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone

[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone (PubChem CID 128989882) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
PubChem CID128989882
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc[nH]c1C(=O)N1CC(O)CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-10-6-7-21-15(10)16(24)22-9-11(23)8-14(22)12-4-2-3-5-13(12)17(18,19)20/h2-7,11,14,21,23H,8-9H2,1H3
InChIKeyJBRCZVYJIQHLBL-UHFFFAOYSA-N
XLogP3.29
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone (CID 128989882) is [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone is Cc1cc[nH]c1C(=O)N1CC(O)CC1c1ccccc1C(F)(F)F.
What is the InChIKey of [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone?
The InChIKey is JBRCZVYJIQHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-10-6-7-21-15(10)16(24)22-9-11(23)8-14(22)12-4-2-3-5-13(12)17(18,19)20/h2-7,11,14,21,23H,8-9H2,1H3.
What are the key properties of [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone?
[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone has a molecular weight of 338.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 128989882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).