N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide

C12H14F4N2O — CID 12664040

IUPACN,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide
SMILESCCN(CC)C(=O)C(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H14F4N2O/c1-4-18(5-2)12(19)6(3)7-8(13)10(15)17-11(16)9(7)14/h6H,4-5H2,1-3H3
InChIKeyFIXNNAOXAMFULI-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.61
Rot. Bonds4

About N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide

N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide (PubChem CID 12664040) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide
PubChem CID12664040
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide
SMILESCCN(CC)C(=O)C(C)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H14F4N2O/c1-4-18(5-2)12(19)6(3)7-8(13)10(15)17-11(16)9(7)14/h6H,4-5H2,1-3H3
InChIKeyFIXNNAOXAMFULI-UHFFFAOYSA-N
XLogP2.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide?
The IUPAC name of N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide (CID 12664040) is N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide.
What is the SMILES notation for N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide?
The canonical SMILES for N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide is CCN(CC)C(=O)C(C)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide?
The InChIKey is FIXNNAOXAMFULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-4-18(5-2)12(19)6(3)7-8(13)10(15)17-11(16)9(7)14/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide?
N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide has a molecular weight of 278.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanamide is sourced from PubChem (CID 12664040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).