[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine

C12H17F3N2 — CID 105215820

IUPAC[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)c(CC(NN)C(F)(F)F)c(C)c1
InChIInChI=1S/C12H17F3N2/c1-7-4-8(2)10(9(3)5-7)6-11(17-16)12(13,14)15/h4-5,11,17H,6,16H2,1-3H3
InChIKeyBOCAKLCOOYZMMY-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.55
Rot. Bonds3

About [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine

[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105215820) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
PubChem CID105215820
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
SMILESCc1cc(C)c(CC(NN)C(F)(F)F)c(C)c1
InChIInChI=1S/C12H17F3N2/c1-7-4-8(2)10(9(3)5-7)6-11(17-16)12(13,14)15/h4-5,11,17H,6,16H2,1-3H3
InChIKeyBOCAKLCOOYZMMY-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.55
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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Related Compounds

4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 103311794
[1-(4-tert-butyl-2,6-dimethylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105197851
[(1S)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 124633921
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
[1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105216946
[1,1-dimethoxy-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105246156
[1-(4-ethylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105197487
2-[1-hydrazinyl-2-(2,4,6-trimethylphenyl)ethyl]aniline
CID 105223956
[1-(3-bromo-4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105264214
N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 116757856
[1-(2-bromophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105208762
[1-(2-methylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105235035

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine (CID 105215820) is [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine is Cc1cc(C)c(CC(NN)C(F)(F)F)c(C)c1.
What is the InChIKey of [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is BOCAKLCOOYZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-7-4-8(2)10(9(3)5-7)6-11(17-16)12(13,14)15/h4-5,11,17H,6,16H2,1-3H3.
What are the key properties of [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine?
[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 246.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105215820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).