1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one

C11H18F3NO3 — CID 113375217

IUPAC1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-8(18-2)3-4-9(16)15-6-5-10(17,7-15)11(12,13)14/h8,17H,3-7H2,1-2H3
InChIKeyBVXBVQIUYZYKQV-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.33
Rot. Bonds4

About 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one

1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one (PubChem CID 113375217) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one
PubChem CID113375217
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-8(18-2)3-4-9(16)15-6-5-10(17,7-15)11(12,13)14/h8,17H,3-7H2,1-2H3
InChIKeyBVXBVQIUYZYKQV-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one?
The IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one (CID 113375217) is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one.
What is the SMILES notation for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one?
The canonical SMILES for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one is COC(C)CCC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one?
The InChIKey is BVXBVQIUYZYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-8(18-2)3-4-9(16)15-6-5-10(17,7-15)11(12,13)14/h8,17H,3-7H2,1-2H3.
What are the key properties of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one?
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one has a molecular weight of 269.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-methoxypentan-1-one is sourced from PubChem (CID 113375217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).