N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide

C9H6F6N2O — CID 170315371

IUPACN-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide
SMILESCC(F)(F)C(F)(F)C(=O)Nc1cc(F)nc(F)c1
InChIInChI=1S/C9H6F6N2O/c1-8(12,13)9(14,15)7(18)16-4-2-5(10)17-6(11)3-4/h2-3H,1H3,(H,16,17,18)
InChIKeyTUYDXVZCEMWFHV-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.59
Rot. Bonds3

About N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide

N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide (PubChem CID 170315371) has the molecular formula C9H6F6N2O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide
PubChem CID170315371
Molecular FormulaC9H6F6N2O
Molecular Weight272.15 g/mol
Exact Mass272.04
IUPAC NameN-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide
SMILESCC(F)(F)C(F)(F)C(=O)Nc1cc(F)nc(F)c1
InChIInChI=1S/C9H6F6N2O/c1-8(12,13)9(14,15)7(18)16-4-2-5(10)17-6(11)3-4/h2-3H,1H3,(H,16,17,18)
InChIKeyTUYDXVZCEMWFHV-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11286475
CID 11286475
CID 4095205
CID 4095205
CID 118730978
CID 118730978
CID 122669948
CID 122669948
CID 15164357
CID 15164357
CID 617546
CID 617546
CID 169302963
CID 169302963
CID 4244480
CID 4244480
CID 11229252
CID 11229252
CID 11298724
CID 11298724
CID 71343392
CID 71343392
CID 12945237
CID 12945237

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide?
The IUPAC name of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide (CID 170315371) is N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide.
What is the SMILES notation for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide?
The canonical SMILES for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide is CC(F)(F)C(F)(F)C(=O)Nc1cc(F)nc(F)c1.
What is the InChIKey of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide?
The InChIKey is TUYDXVZCEMWFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O/c1-8(12,13)9(14,15)7(18)16-4-2-5(10)17-6(11)3-4/h2-3H,1H3,(H,16,17,18).
What are the key properties of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide?
N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide has a molecular weight of 272.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3-tetrafluorobutanamide is sourced from PubChem (CID 170315371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).