1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

C11H12F4N2O2 — CID 103473875

IUPAC1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESNc1ccncc1CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-8(18)3-7-4-17-2-1-9(7)16/h1-2,4,10H,3,5-6H2,(H2,16,17)
InChIKeyXQSZNECSHJWVSM-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.69
Rot. Bonds7

About 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (PubChem CID 103473875) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
PubChem CID103473875
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESNc1ccncc1CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-8(18)3-7-4-17-2-1-9(7)16/h1-2,4,10H,3,5-6H2,(H2,16,17)
InChIKeyXQSZNECSHJWVSM-UHFFFAOYSA-N
XLogP1.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (CID 103473875) is 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is Nc1ccncc1CC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The InChIKey is XQSZNECSHJWVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-8(18)3-7-4-17-2-1-9(7)16/h1-2,4,10H,3,5-6H2,(H2,16,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one has a molecular weight of 280.22 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is sourced from PubChem (CID 103473875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).