(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride

C13H10ClFN2 — CID 15117050

IUPAC(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESFc1ccccc1/C(Cl)=N/Nc1ccccc1
InChIInChI=1S/C13H10ClFN2/c14-13(11-8-4-5-9-12(11)15)17-16-10-6-2-1-3-7-10/h1-9,16H/b17-13-
InChIKeyCJMLPSDLVDGRGE-LGMDPLHJSA-N
MW248.69 g/mol
LogP3.84
Rot. Bonds3

About (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride

(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 15117050) has the molecular formula C13H10ClFN2 and a molecular weight of 248.69 g/mol. Its IUPAC name is (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID15117050
Molecular FormulaC13H10ClFN2
Molecular Weight248.69 g/mol
Exact Mass248.05
IUPAC Name(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESFc1ccccc1/C(Cl)=N/Nc1ccccc1
InChIInChI=1S/C13H10ClFN2/c14-13(11-8-4-5-9-12(11)15)17-16-10-6-2-1-3-7-10/h1-9,16H/b17-13-
InChIKeyCJMLPSDLVDGRGE-LGMDPLHJSA-N
XLogP3.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
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 (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride (CID 15117050) is (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride is Fc1ccccc1/C(Cl)=N/Nc1ccccc1.
What is the InChIKey of (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is CJMLPSDLVDGRGE-LGMDPLHJSA-N. The full InChI is InChI=1S/C13H10ClFN2/c14-13(11-8-4-5-9-12(11)15)17-16-10-6-2-1-3-7-10/h1-9,16H/b17-13-.
What are the key properties of (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride?
(1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 248.69 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-fluoro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 15117050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).