N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide

C10H8F4N2O — CID 135031370

IUPACN-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
SMILESC=CCN(C(C)=O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H8F4N2O/c1-3-4-16(5(2)17)8-6(11)9(13)15-10(14)7(8)12/h3H,1,4H2,2H3
InChIKeyKCWWBZSVIBINLT-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.18
Rot. Bonds3

About N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide

N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide (PubChem CID 135031370) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
PubChem CID135031370
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC NameN-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
SMILESC=CCN(C(C)=O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C10H8F4N2O/c1-3-4-16(5(2)17)8-6(11)9(13)15-10(14)7(8)12/h3H,1,4H2,2H3
InChIKeyKCWWBZSVIBINLT-UHFFFAOYSA-N
XLogP2.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Trifluoroacetyl)-4-(dimethylamino)pyridinium
CID 4205684
4-Diethylamino-2,3,5,6-tetrafluoropyridine
CID 14400537
pyridine, 4-(N-methylacetamido)-
CID 13430320
N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 11298724
2',3',5',6'-Tetrafluoro-4h-1,4'-bipyridin-4-one
CID 132276945
2',3',5',6'-Tetrafluoro-2h-1,4'-bipyridin-2-one
CID 132277070
1-[4-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
CID 23402901
5-Methyl-2-propyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-2-ium-3-one
CID 57105012
2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide
CID 106937610
2,2-difluoro-N-methyl-N-pyridin-4-ylbutanamide
CID 117741514
2,2,3,3,4,4,4-heptafluoro-N-methyl-N-pyridin-4-ylbutanamide
CID 117741520
N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
CID 130387820

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide?
The IUPAC name of N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide (CID 135031370) is N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide.
What is the SMILES notation for N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide?
The canonical SMILES for N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide is C=CCN(C(C)=O)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide?
The InChIKey is KCWWBZSVIBINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c1-3-4-16(5(2)17)8-6(11)9(13)15-10(14)7(8)12/h3H,1,4H2,2H3.
What are the key properties of N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide?
N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide has a molecular weight of 248.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 135031370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).