[2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine

C19H22F4N2 — CID 15001654

IUPAC[2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine
SMILESCCCCCCCc1ccc(-c2c(F)c(F)c(NN)c(F)c2F)cc1
InChIInChI=1S/C19H22F4N2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14-15(20)17(22)19(25-24)18(23)16(14)21/h8-11,25H,2-7,24H2,1H3
InChIKeyHTJGKWHTSGNSGV-UHFFFAOYSA-N
MW354.39 g/mol
LogP5.71
Rot. Bonds8

About [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine

[2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine (PubChem CID 15001654) has the molecular formula C19H22F4N2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine
PubChem CID15001654
Molecular FormulaC19H22F4N2
Molecular Weight354.39 g/mol
Exact Mass354.17
IUPAC Name[2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine
SMILESCCCCCCCc1ccc(-c2c(F)c(F)c(NN)c(F)c2F)cc1
InChIInChI=1S/C19H22F4N2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14-15(20)17(22)19(25-24)18(23)16(14)21/h8-11,25H,2-7,24H2,1H3
InChIKeyHTJGKWHTSGNSGV-UHFFFAOYSA-N
XLogP5.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.39
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine (CID 15001654) is [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine is CCCCCCCc1ccc(-c2c(F)c(F)c(NN)c(F)c2F)cc1.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine?
The InChIKey is HTJGKWHTSGNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14-15(20)17(22)19(25-24)18(23)16(14)21/h8-11,25H,2-7,24H2,1H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine?
[2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine has a molecular weight of 354.39 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(4-heptylphenyl)phenyl]hydrazine is sourced from PubChem (CID 15001654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).