1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C17H18F3NO3 — CID 154743174

IUPAC1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOCc1ccc(CN2CC(O)CC2c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C17H18F3NO3/c18-17(19,20)15-4-2-1-3-14(15)16-7-11(23)8-21(16)9-12-5-6-13(10-22)24-12/h1-6,11,16,22-23H,7-10H2
InChIKeyVHGZFMOQUUPWPI-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.10
Rot. Bonds4

About 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 154743174) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID154743174
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOCc1ccc(CN2CC(O)CC2c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C17H18F3NO3/c18-17(19,20)15-4-2-1-3-14(15)16-7-11(23)8-21(16)9-12-5-6-13(10-22)24-12/h1-6,11,16,22-23H,7-10H2
InChIKeyVHGZFMOQUUPWPI-UHFFFAOYSA-N
XLogP3.10
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 154743174) is 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OCc1ccc(CN2CC(O)CC2c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is VHGZFMOQUUPWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3/c18-17(19,20)15-4-2-1-3-14(15)16-7-11(23)8-21(16)9-12-5-6-13(10-22)24-12/h1-6,11,16,22-23H,7-10H2.
What are the key properties of 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 341.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 154743174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).