N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide

C14H16F5N3O — CID 132555414

IUPACN-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide
SMILESCC(=O)NCCC/C(=N/Nc1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F5N3O/c1-10(23)20-9-5-8-12(13(15,16)14(17,18)19)22-21-11-6-3-2-4-7-11/h2-4,6-7,21H,5,8-9H2,1H3,(H,20,23)/b22-12-
InChIKeyLCZAOIITHIFBQQ-UUYOSTAYSA-N
MW337.29 g/mol
LogP3.57
Rot. Bonds7

About N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide

N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide (PubChem CID 132555414) has the molecular formula C14H16F5N3O and a molecular weight of 337.29 g/mol. Its IUPAC name is N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide.

Molecular Properties

Compound NameN-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide
PubChem CID132555414
Molecular FormulaC14H16F5N3O
Molecular Weight337.29 g/mol
Exact Mass337.12
IUPAC NameN-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide
SMILESCC(=O)NCCC/C(=N/Nc1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F5N3O/c1-10(23)20-9-5-8-12(13(15,16)14(17,18)19)22-21-11-6-3-2-4-7-11/h2-4,6-7,21H,5,8-9H2,1H3,(H,20,23)/b22-12-
InChIKeyLCZAOIITHIFBQQ-UUYOSTAYSA-N
XLogP3.57
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide?
The IUPAC name of N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide (CID 132555414) is N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide.
What is the SMILES notation for N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide?
The canonical SMILES for N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide is CC(=O)NCCC/C(=N/Nc1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide?
The InChIKey is LCZAOIITHIFBQQ-UUYOSTAYSA-N. The full InChI is InChI=1S/C14H16F5N3O/c1-10(23)20-9-5-8-12(13(15,16)14(17,18)19)22-21-11-6-3-2-4-7-11/h2-4,6-7,21H,5,8-9H2,1H3,(H,20,23)/b22-12-.
What are the key properties of N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide?
N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide has a molecular weight of 337.29 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-5,5,6,6,6-pentafluoro-4-(phenylhydrazinylidene)hexyl]acetamide is sourced from PubChem (CID 132555414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).