[4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine

C9H11F3N2 — CID 23334287

IUPAC[4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine
SMILESCc1ccc(CNN)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-6-2-3-7(5-14-13)4-8(6)9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyYAHOLCQIHIHSRM-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.98
Rot. Bonds2

About [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine

[4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine (PubChem CID 23334287) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine.

Molecular Properties

Compound Name[4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine
PubChem CID23334287
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name[4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine
SMILESCc1ccc(CNN)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-6-2-3-7(5-14-13)4-8(6)9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyYAHOLCQIHIHSRM-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.98
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 [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine?
The IUPAC name of [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine (CID 23334287) is [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine.
What is the SMILES notation for [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine?
The canonical SMILES for [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine is Cc1ccc(CNN)cc1C(F)(F)F.
What is the InChIKey of [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine?
The InChIKey is YAHOLCQIHIHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-6-2-3-7(5-14-13)4-8(6)9(10,11)12/h2-4,14H,5,13H2,1H3.
What are the key properties of [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine?
[4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine has a molecular weight of 204.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(trifluoromethyl)phenyl]methylhydrazine is sourced from PubChem (CID 23334287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).