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

C11H12F4N2O2 — CID 103473624

IUPAC1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESNc1ncccc1CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-8(18)4-7-2-1-3-17-9(7)16/h1-3,10H,4-6H2,(H2,16,17)
InChIKeyXVFKNMKKAOGGOB-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.69
Rot. Bonds7

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

1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (PubChem CID 103473624) has the molecular formula C11H12F4N2O2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
PubChem CID103473624
Molecular FormulaC11H12F4N2O2
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESNc1ncccc1CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-8(18)4-7-2-1-3-17-9(7)16/h1-3,10H,4-6H2,(H2,16,17)
InChIKeyXVFKNMKKAOGGOB-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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Related Compounds

1-(2-amino-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146771
1-(2-bromo-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473771
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473693
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
1-(4-chloro-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 107884171
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135091161
(E)-1-(2-amino-3-pyridinyl)pent-3-en-2-one
CID 103453454
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
CID 55075103
1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473882
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (CID 103473624) is 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is Nc1ncccc1CC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The InChIKey is XVFKNMKKAOGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2/c12-10(13)11(14,15)6-19-5-8(18)4-7-2-1-3-17-9(7)16/h1-3,10H,4-6H2,(H2,16,17).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
1-(2-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-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is sourced from PubChem (CID 103473624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).