1-(3-chlorophenyl)-1-fluorohydrazine

C6H6ClFN2 — CID 53401109

IUPAC1-(3-chlorophenyl)-1-fluorohydrazine
SMILESNN(F)c1cccc(Cl)c1
InChIInChI=1S/C6H6ClFN2/c7-5-2-1-3-6(4-5)10(8)9/h1-4H,9H2
InChIKeyMXIOXLBTSPBYCT-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-chlorophenyl)-1-fluorohydrazine

1-(3-chlorophenyl)-1-fluorohydrazine (PubChem CID 53401109) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-fluorohydrazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-fluorohydrazine
PubChem CID53401109
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name1-(3-chlorophenyl)-1-fluorohydrazine
SMILESNN(F)c1cccc(Cl)c1
InChIInChI=1S/C6H6ClFN2/c7-5-2-1-3-6(4-5)10(8)9/h1-4H,9H2
InChIKeyMXIOXLBTSPBYCT-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 1-(3-chlorophenyl)-1-fluorohydrazine?
The IUPAC name of 1-(3-chlorophenyl)-1-fluorohydrazine (CID 53401109) is 1-(3-chlorophenyl)-1-fluorohydrazine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-fluorohydrazine?
The canonical SMILES for 1-(3-chlorophenyl)-1-fluorohydrazine is NN(F)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-fluorohydrazine?
The InChIKey is MXIOXLBTSPBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c7-5-2-1-3-6(4-5)10(8)9/h1-4H,9H2.
What are the key properties of 1-(3-chlorophenyl)-1-fluorohydrazine?
1-(3-chlorophenyl)-1-fluorohydrazine has a molecular weight of 160.58 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-fluorohydrazine is sourced from PubChem (CID 53401109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).