2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide

C14H18F9N5O — CID 15009179

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide
SMILESO=C(NCCCCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H18F9N5O/c15-11(16,12(17,18)13(19,20)14(21,22)23)10(29)24-8-6-4-2-1-3-5-7-9-25-27-28-26-9/h1-8H2,(H,24,29)(H,25,26,27,28)
InChIKeyZDOZHDPCTZGCOO-UHFFFAOYSA-N
MW443.31 g/mol
LogP3.67
Rot. Bonds12

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide (PubChem CID 15009179) has the molecular formula C14H18F9N5O and a molecular weight of 443.31 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide
PubChem CID15009179
Molecular FormulaC14H18F9N5O
Molecular Weight443.31 g/mol
Exact Mass443.14
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide
SMILESO=C(NCCCCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H18F9N5O/c15-11(16,12(17,18)13(19,20)14(21,22)23)10(29)24-8-6-4-2-1-3-5-7-9-25-27-28-26-9/h1-8H2,(H,24,29)(H,25,26,27,28)
InChIKeyZDOZHDPCTZGCOO-UHFFFAOYSA-N
XLogP3.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 53.67
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 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide (CID 15009179) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide is O=C(NCCCCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide?
The InChIKey is ZDOZHDPCTZGCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F9N5O/c15-11(16,12(17,18)13(19,20)14(21,22)23)10(29)24-8-6-4-2-1-3-5-7-9-25-27-28-26-9/h1-8H2,(H,24,29)(H,25,26,27,28).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide has a molecular weight of 443.31 g/mol, XLogP of 3.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[8-(2H-tetrazol-5-yl)octyl]pentanamide is sourced from PubChem (CID 15009179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).