2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide

C9H6F6N2O — CID 2305255

IUPAC2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H6F6N2O/c10-8(11,12)5-2-1-3-6(4-5)16-17-7(18)9(13,14)15/h1-4,16H,(H,17,18)
InChIKeyNXUYIVMZIHRQJH-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.71
Rot. Bonds2

About 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide

2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 2305255) has the molecular formula C9H6F6N2O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID2305255
Molecular FormulaC9H6F6N2O
Molecular Weight272.15 g/mol
Exact Mass272.04
IUPAC Name2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H6F6N2O/c10-8(11,12)5-2-1-3-6(4-5)16-17-7(18)9(13,14)15/h1-4,16H,(H,17,18)
InChIKeyNXUYIVMZIHRQJH-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.71
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 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide (CID 2305255) is 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is NXUYIVMZIHRQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O/c10-8(11,12)5-2-1-3-6(4-5)16-17-7(18)9(13,14)15/h1-4,16H,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide?
2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 272.15 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 2305255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).