1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one

C10H14F2N2O2 — CID 106175892

IUPAC1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O2/c11-10(12,8-15)7-13-4-6-14-5-2-1-3-9(14)16/h1-3,5,13,15H,4,6-8H2
InChIKeyHRXIBHKQFWKCPG-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.07
Rot. Bonds6

About 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one

1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one (PubChem CID 106175892) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one
PubChem CID106175892
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O2/c11-10(12,8-15)7-13-4-6-14-5-2-1-3-9(14)16/h1-3,5,13,15H,4,6-8H2
InChIKeyHRXIBHKQFWKCPG-UHFFFAOYSA-N
XLogP0.07
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one (CID 106175892) is 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCNCC(F)(F)CO.
What is the InChIKey of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one?
The InChIKey is HRXIBHKQFWKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-10(12,8-15)7-13-4-6-14-5-2-1-3-9(14)16/h1-3,5,13,15H,4,6-8H2.
What are the key properties of 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one?
1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one has a molecular weight of 232.23 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 106175892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).