1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one

C10H17F3N2O2 — CID 126846996

IUPAC1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCC(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8(16)7-14-4-2-6-15-5-1-3-9(15)17/h8,14,16H,1-7H2
InChIKeyQSQSDZPAYQQEJG-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.51
Rot. Bonds6

About 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one

1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one (PubChem CID 126846996) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one
PubChem CID126846996
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCC(O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8(16)7-14-4-2-6-15-5-1-3-9(15)17/h8,14,16H,1-7H2
InChIKeyQSQSDZPAYQQEJG-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one (CID 126846996) is 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCC(O)C(F)(F)F.
What is the InChIKey of 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is QSQSDZPAYQQEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)8(16)7-14-4-2-6-15-5-1-3-9(15)17/h8,14,16H,1-7H2.
What are the key properties of 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one?
1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 254.25 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 126846996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).