[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine

C9H8F4N2 — CID 168530349

IUPAC[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESCc1cc(C=NN)c(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F4N2/c1-5-2-6(4-15-14)8(10)3-7(5)9(11,12)13/h2-4H,14H2,1H3
InChIKeyOOUSWEYKYLOUQC-UHFFFAOYSA-N
MW220.17 g/mol
LogP2.45
Rot. Bonds1

About [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine

[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine (PubChem CID 168530349) has the molecular formula C9H8F4N2 and a molecular weight of 220.17 g/mol. Its IUPAC name is [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine
PubChem CID168530349
Molecular FormulaC9H8F4N2
Molecular Weight220.17 g/mol
Exact Mass220.06
IUPAC Name[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESCc1cc(C=NN)c(F)cc1C(F)(F)F
InChIInChI=1S/C9H8F4N2/c1-5-2-6(4-15-14)8(10)3-7(5)9(11,12)13/h2-4H,14H2,1H3
InChIKeyOOUSWEYKYLOUQC-UHFFFAOYSA-N
XLogP2.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine?
The IUPAC name of [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine (CID 168530349) is [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine.
What is the SMILES notation for [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine?
The canonical SMILES for [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine is Cc1cc(C=NN)c(F)cc1C(F)(F)F.
What is the InChIKey of [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine?
The InChIKey is OOUSWEYKYLOUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2/c1-5-2-6(4-15-14)8(10)3-7(5)9(11,12)13/h2-4H,14H2,1H3.
What are the key properties of [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine?
[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine has a molecular weight of 220.17 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168530349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).