N'-(4-fluorophenyl)hept-6-ynehydrazide

C13H15FN2O — CID 126805755

IUPACN'-(4-fluorophenyl)hept-6-ynehydrazide
SMILESC#CCCCCC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-2-3-4-5-6-13(17)16-15-12-9-7-11(14)8-10-12/h1,7-10,15H,3-6H2,(H,16,17)
InChIKeyZGSZYQUNMWWGDY-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.46
Rot. Bonds6

About N'-(4-fluorophenyl)hept-6-ynehydrazide

N'-(4-fluorophenyl)hept-6-ynehydrazide (PubChem CID 126805755) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N'-(4-fluorophenyl)hept-6-ynehydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)hept-6-ynehydrazide
PubChem CID126805755
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN'-(4-fluorophenyl)hept-6-ynehydrazide
SMILESC#CCCCCC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-2-3-4-5-6-13(17)16-15-12-9-7-11(14)8-10-12/h1,7-10,15H,3-6H2,(H,16,17)
InChIKeyZGSZYQUNMWWGDY-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)pent-4-ynamide
CID 72544109
N'-(4-fluorophenyl)prop-2-ynehydrazide
CID 130620285
[3-[2-(4-fluorophenyl)hydrazinyl]-3-oxopropyl] acetate
CID 150065658
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
N'-(4-fluorophenyl)-2-(methylamino)acetohydrazide;hydrochloride
CID 130686411
N-hydroxyhept-6-ynamide
CID 71623064
2-ethyl-N'-(4-fluorophenyl)but-2-enehydrazide
CID 136535352
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N'-(4-fluorophenyl)butanehydrazide
CID 126799900
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
N-methyloct-7-ynamide
CID 175792048

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)hept-6-ynehydrazide?
The IUPAC name of N'-(4-fluorophenyl)hept-6-ynehydrazide (CID 126805755) is N'-(4-fluorophenyl)hept-6-ynehydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)hept-6-ynehydrazide?
The canonical SMILES for N'-(4-fluorophenyl)hept-6-ynehydrazide is C#CCCCCC(=O)NNc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)hept-6-ynehydrazide?
The InChIKey is ZGSZYQUNMWWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-3-4-5-6-13(17)16-15-12-9-7-11(14)8-10-12/h1,7-10,15H,3-6H2,(H,16,17).
What are the key properties of N'-(4-fluorophenyl)hept-6-ynehydrazide?
N'-(4-fluorophenyl)hept-6-ynehydrazide has a molecular weight of 234.27 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)hept-6-ynehydrazide is sourced from PubChem (CID 126805755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).