(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride

C9H5Cl2F3N2 — CID 134869379

IUPAC(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride
SMILESFC(F)(F)/C(Cl)=N/N=C(\Cl)c1ccccc1
InChIInChI=1S/C9H5Cl2F3N2/c10-7(6-4-2-1-3-5-6)15-16-8(11)9(12,13)14/h1-5H/b15-7-,16-8-
InChIKeyVOKWAHSJWQRQBY-DUGOVBPYSA-N
MW269.05 g/mol
LogP3.79
Rot. Bonds2

About (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride

(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride (PubChem CID 134869379) has the molecular formula C9H5Cl2F3N2 and a molecular weight of 269.05 g/mol. Its IUPAC name is (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride
PubChem CID134869379
Molecular FormulaC9H5Cl2F3N2
Molecular Weight269.05 g/mol
Exact Mass267.98
IUPAC Name(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride
SMILESFC(F)(F)/C(Cl)=N/N=C(\Cl)c1ccccc1
InChIInChI=1S/C9H5Cl2F3N2/c10-7(6-4-2-1-3-5-6)15-16-8(11)9(12,13)14/h1-5H/b15-7-,16-8-
InChIKeyVOKWAHSJWQRQBY-DUGOVBPYSA-N
XLogP3.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride?
The IUPAC name of (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride (CID 134869379) is (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride is FC(F)(F)/C(Cl)=N/N=C(\Cl)c1ccccc1.
What is the InChIKey of (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride?
The InChIKey is VOKWAHSJWQRQBY-DUGOVBPYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N2/c10-7(6-4-2-1-3-5-6)15-16-8(11)9(12,13)14/h1-5H/b15-7-,16-8-.
What are the key properties of (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride?
(NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride has a molecular weight of 269.05 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,Z)-N-(1-chloro-2,2,2-trifluoroethylidene)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 134869379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).