(1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride

C13H6ClF5N2 — CID 12730131

IUPAC(1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESFc1c(F)c(F)c(/C(Cl)=N/Nc2ccccc2)c(F)c1F
InChIInChI=1S/C13H6ClF5N2/c14-13(21-20-6-4-2-1-3-5-6)7-8(15)10(17)12(19)11(18)9(7)16/h1-5,20H/b21-13-
InChIKeyWITUJHXPONLPNG-BKUYFWCQSA-N
MW320.65 g/mol
LogP4.39
Rot. Bonds3

About (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride

(1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 12730131) has the molecular formula C13H6ClF5N2 and a molecular weight of 320.65 g/mol. Its IUPAC name is (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID12730131
Molecular FormulaC13H6ClF5N2
Molecular Weight320.65 g/mol
Exact Mass320.01
IUPAC Name(1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESFc1c(F)c(F)c(/C(Cl)=N/Nc2ccccc2)c(F)c1F
InChIInChI=1S/C13H6ClF5N2/c14-13(21-20-6-4-2-1-3-5-6)7-8(15)10(17)12(19)11(18)9(7)16/h1-5,20H/b21-13-
InChIKeyWITUJHXPONLPNG-BKUYFWCQSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride (CID 12730131) is (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride is Fc1c(F)c(F)c(/C(Cl)=N/Nc2ccccc2)c(F)c1F.
What is the InChIKey of (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is WITUJHXPONLPNG-BKUYFWCQSA-N. The full InChI is InChI=1S/C13H6ClF5N2/c14-13(21-20-6-4-2-1-3-5-6)7-8(15)10(17)12(19)11(18)9(7)16/h1-5,20H/b21-13-.
What are the key properties of (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride?
(1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 320.65 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,3,4,5,6-pentafluoro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 12730131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).