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

C10H17F3N2O2 — CID 120563292

IUPAC4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(14)2-3-8(16)15-5-4-9(17,6-15)10(11,12)13/h7,17H,2-6,14H2,1H3
InChIKeyBSJIBCHZENHWSO-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.64
Rot. Bonds3

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

4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 120563292) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID120563292
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(14)2-3-8(16)15-5-4-9(17,6-15)10(11,12)13/h7,17H,2-6,14H2,1H3
InChIKeyBSJIBCHZENHWSO-UHFFFAOYSA-N
XLogP0.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one (CID 120563292) is 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is BSJIBCHZENHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(14)2-3-8(16)15-5-4-9(17,6-15)10(11,12)13/h7,17H,2-6,14H2,1H3.
What are the key properties of 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one?
4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 120563292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).