4,4,4-trifluoro-N-pyridin-4-ylbutanamide

C9H9F3N2O — CID 155981646

IUPAC4,4,4-trifluoro-N-pyridin-4-ylbutanamide
SMILESO=C(CCC(F)(F)F)Nc1ccncc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)4-1-8(15)14-7-2-5-13-6-3-7/h2-3,5-6H,1,4H2,(H,13,14,15)
InChIKeyZZBBPZYXFQOENP-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.36
Rot. Bonds3

About 4,4,4-trifluoro-N-pyridin-4-ylbutanamide

4,4,4-trifluoro-N-pyridin-4-ylbutanamide (PubChem CID 155981646) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-pyridin-4-ylbutanamide
PubChem CID155981646
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name4,4,4-trifluoro-N-pyridin-4-ylbutanamide
SMILESO=C(CCC(F)(F)F)Nc1ccncc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)4-1-8(15)14-7-2-5-13-6-3-7/h2-3,5-6H,1,4H2,(H,13,14,15)
InChIKeyZZBBPZYXFQOENP-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
N,2-dipyridin-4-ylacetamide
CID 110468100
[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
CID 44666570
4,4,4-trifluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]butanamide
CID 77099417
N'-iodo-N-pyridin-4-ylpropanediamide
CID 122468435
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
2,2,2-tribromo-N-pyridin-4-ylacetamide
CID 23576873

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-pyridin-4-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-pyridin-4-ylbutanamide (CID 155981646) is 4,4,4-trifluoro-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-pyridin-4-ylbutanamide is O=C(CCC(F)(F)F)Nc1ccncc1.
What is the InChIKey of 4,4,4-trifluoro-N-pyridin-4-ylbutanamide?
The InChIKey is ZZBBPZYXFQOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)4-1-8(15)14-7-2-5-13-6-3-7/h2-3,5-6H,1,4H2,(H,13,14,15).
What are the key properties of 4,4,4-trifluoro-N-pyridin-4-ylbutanamide?
4,4,4-trifluoro-N-pyridin-4-ylbutanamide has a molecular weight of 218.18 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 155981646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).