N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide

C8H5Cl2F3N2O — CID 12787056

IUPACN'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl2F3N2O/c9-4-1-2-6(5(10)3-4)14-15-7(16)8(11,12)13/h1-3,14H,(H,15,16)
InChIKeyDBCHPVQLGDYBSO-UHFFFAOYSA-N
MW273.04 g/mol
LogP3.00
Rot. Bonds2

About N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide

N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 12787056) has the molecular formula C8H5Cl2F3N2O and a molecular weight of 273.04 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide
PubChem CID12787056
Molecular FormulaC8H5Cl2F3N2O
Molecular Weight273.04 g/mol
Exact Mass271.97
IUPAC NameN'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H5Cl2F3N2O/c9-4-1-2-6(5(10)3-4)14-15-7(16)8(11,12)13/h1-3,14H,(H,15,16)
InChIKeyDBCHPVQLGDYBSO-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide (CID 12787056) is N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide is O=C(NNc1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is DBCHPVQLGDYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3N2O/c9-4-1-2-6(5(10)3-4)14-15-7(16)8(11,12)13/h1-3,14H,(H,15,16).
What are the key properties of N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide?
N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 273.04 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 12787056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).