2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide

C7H4F8N4O — CID 4065409

IUPAC2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(Nc1ncn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H4F8N4O/c8-2(9)5(10,11)7(14,15)6(12,13)3(20)18-4-16-1-17-19-4/h1-2H,(H2,16,17,18,19,20)
InChIKeyIMQNHKOPVSGBKT-UHFFFAOYSA-N
MW312.12 g/mol
LogP1.91
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide

2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 4065409) has the molecular formula C7H4F8N4O and a molecular weight of 312.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID4065409
Molecular FormulaC7H4F8N4O
Molecular Weight312.12 g/mol
Exact Mass312.03
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(Nc1ncn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H4F8N4O/c8-2(9)5(10,11)7(14,15)6(12,13)3(20)18-4-16-1-17-19-4/h1-2H,(H2,16,17,18,19,20)
InChIKeyIMQNHKOPVSGBKT-UHFFFAOYSA-N
XLogP1.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 3094068
N-(1H-1,2,4-triazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
CID 658670
2,2,3,3,4,4,4-Heptafluoro-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 1915836
N-(4H-1,2,4-Triazol-3-YL)pentanamide
CID 19171439
2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 267660
N-(4H-1,2,4-triazol-3-yl)cyclobutanecarboxamide
CID 53015132
3,3-difluoro-2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 132970373
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(1H-1,2,4-triazol-3-yl)hexanediamide
CID 2268768
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide
CID 3479351
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(1H-1,2,4-triazol-5-yl)nonanamide
CID 3623130
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 4451054
2,2,3,3,4,4,5,5-octafluoro-N-(1,2,4-triazol-4-yl)pentanamide
CID 4686945

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 4065409) is 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide is O=C(Nc1ncn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is IMQNHKOPVSGBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8N4O/c8-2(9)5(10,11)7(14,15)6(12,13)3(20)18-4-16-1-17-19-4/h1-2H,(H2,16,17,18,19,20).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide?
2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 312.12 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 4065409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).