[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine

C12H17F3N2 — CID 105205901

IUPAC[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(CC(F)(F)F)NN)c1
InChIInChI=1S/C12H17F3N2/c1-8-3-4-9(2)10(5-8)6-11(17-16)7-12(13,14)15/h3-5,11,17H,6-7,16H2,1-2H3
InChIKeySKGALPFMKOFTQP-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.63
Rot. Bonds4

About [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine

[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine (PubChem CID 105205901) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
PubChem CID105205901
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(CC(F)(F)F)NN)c1
InChIInChI=1S/C12H17F3N2/c1-8-3-4-9(2)10(5-8)6-11(17-16)7-12(13,14)15/h3-5,11,17H,6-7,16H2,1-2H3
InChIKeySKGALPFMKOFTQP-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.63
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

[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265366
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206860
[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
CID 105331170
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(2,5-dimethylphenyl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105315883
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283
[1-(2,5-dichlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206142
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine (CID 105205901) is [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine is Cc1ccc(C)c(CC(CC(F)(F)F)NN)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The InChIKey is SKGALPFMKOFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8-3-4-9(2)10(5-8)6-11(17-16)7-12(13,14)15/h3-5,11,17H,6-7,16H2,1-2H3.
What are the key properties of [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine has a molecular weight of 246.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine is sourced from PubChem (CID 105205901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).