[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine

C7H5ClF4N2 — CID 168949864

IUPAC[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1cc(Cl)cc(F)c1C(F)(F)F
InChIInChI=1S/C7H5ClF4N2/c8-3-1-4(9)6(7(10,11)12)5(2-3)14-13/h1-2,14H,13H2
InChIKeyMDYCURXOBOLBHO-UHFFFAOYSA-N
MW228.58 g/mol
LogP2.78
Rot. Bonds1

About [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine

[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine (PubChem CID 168949864) has the molecular formula C7H5ClF4N2 and a molecular weight of 228.58 g/mol. Its IUPAC name is [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine
PubChem CID168949864
Molecular FormulaC7H5ClF4N2
Molecular Weight228.58 g/mol
Exact Mass228.01
IUPAC Name[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1cc(Cl)cc(F)c1C(F)(F)F
InChIInChI=1S/C7H5ClF4N2/c8-3-1-4(9)6(7(10,11)12)5(2-3)14-13/h1-2,14H,13H2
InChIKeyMDYCURXOBOLBHO-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.58
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine (CID 168949864) is [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine is NNc1cc(Cl)cc(F)c1C(F)(F)F.
What is the InChIKey of [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is MDYCURXOBOLBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4N2/c8-3-1-4(9)6(7(10,11)12)5(2-3)14-13/h1-2,14H,13H2.
What are the key properties of [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine?
[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 228.58 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 168949864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).