2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide

C10H12F7N5O — CID 15164343

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide
SMILESO=C(NCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7N5O/c11-8(12,9(13,14)10(15,16)17)7(23)18-5-3-1-2-4-6-19-21-22-20-6/h1-5H2,(H,18,23)(H,19,20,21,22)
InChIKeyJUGZETTYVICBNU-UHFFFAOYSA-N
MW351.23 g/mol
LogP1.86
Rot. Bonds8

About 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide (PubChem CID 15164343) has the molecular formula C10H12F7N5O and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide
PubChem CID15164343
Molecular FormulaC10H12F7N5O
Molecular Weight351.23 g/mol
Exact Mass351.09
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide
SMILESO=C(NCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7N5O/c11-8(12,9(13,14)10(15,16)17)7(23)18-5-3-1-2-4-6-19-21-22-20-6/h1-5H2,(H,18,23)(H,19,20,21,22)
InChIKeyJUGZETTYVICBNU-UHFFFAOYSA-N
XLogP1.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide (CID 15164343) is 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide is O=C(NCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide?
The InChIKey is JUGZETTYVICBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F7N5O/c11-8(12,9(13,14)10(15,16)17)7(23)18-5-3-1-2-4-6-19-21-22-20-6/h1-5H2,(H,18,23)(H,19,20,21,22).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[5-(2H-tetrazol-5-yl)pentyl]butanamide has a molecular weight of 351.23 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 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-[5-(2H-tetrazol-5-yl)pentyl]butanamide is sourced from PubChem (CID 15164343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).