5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one

C11H16F2N2O2 — CID 102868855

IUPAC5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC(C)C(F)F)ccc1=O
InChIInChI=1S/C11H16F2N2O2/c1-8(11(12)13)14-9-3-4-10(16)15(7-9)5-6-17-2/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyOAFBDJXBAAHAOY-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.56
Rot. Bonds6

About 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one

5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 102868855) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one
PubChem CID102868855
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC(C)C(F)F)ccc1=O
InChIInChI=1S/C11H16F2N2O2/c1-8(11(12)13)14-9-3-4-10(16)15(7-9)5-6-17-2/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyOAFBDJXBAAHAOY-UHFFFAOYSA-N
XLogP1.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 20117994
2-oxo-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1H-pyridine-3-carboxamide
CID 47456165
N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 43260196
2,2,2-trifluoroethyl N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]carbamate
CID 45835474
2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 52908166
3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 62102937
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 62490808
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
2,2,2-trifluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 62733372
1-[2-(1-Methoxypropan-2-ylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280431

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one (CID 102868855) is 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(NC(C)C(F)F)ccc1=O.
What is the InChIKey of 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is OAFBDJXBAAHAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-8(11(12)13)14-9-3-4-10(16)15(7-9)5-6-17-2/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one?
5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 246.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropan-2-ylamino)-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 102868855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).