2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide

C6H3F7N4O — CID 4247691

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide
SMILESO=C(Nn1cnnc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7N4O/c7-4(8,5(9,10)6(11,12)13)3(18)16-17-1-14-15-2-17/h1-2H,(H,16,18)
InChIKeyYGHFAMDHMNNPBR-UHFFFAOYSA-N
MW280.10 g/mol
LogP1.18
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide (PubChem CID 4247691) has the molecular formula C6H3F7N4O and a molecular weight of 280.10 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide
PubChem CID4247691
Molecular FormulaC6H3F7N4O
Molecular Weight280.10 g/mol
Exact Mass280.02
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide
SMILESO=C(Nn1cnnc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F7N4O/c7-4(8,5(9,10)6(11,12)13)3(18)16-17-1-14-15-2-17/h1-2H,(H,16,18)
InChIKeyYGHFAMDHMNNPBR-UHFFFAOYSA-N
XLogP1.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide (CID 4247691) is 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide is O=C(Nn1cnnc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide?
The InChIKey is YGHFAMDHMNNPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7N4O/c7-4(8,5(9,10)6(11,12)13)3(18)16-17-1-14-15-2-17/h1-2H,(H,16,18).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide has a molecular weight of 280.10 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(1,2,4-triazol-4-yl)butanamide is sourced from PubChem (CID 4247691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).