[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine

C10H13F3N2 — CID 105215650

IUPAC[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cccc(CC(NN)C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c1-7-3-2-4-8(5-7)6-9(15-14)10(11,12)13/h2-5,9,15H,6,14H2,1H3
InChIKeyQJPATSAUZOOQFG-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.93
Rot. Bonds3

About [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine

[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105215650) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
PubChem CID105215650
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
SMILESCc1cccc(CC(NN)C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2/c1-7-3-2-4-8(5-7)6-9(15-14)10(11,12)13/h2-5,9,15H,6,14H2,1H3
InChIKeyQJPATSAUZOOQFG-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.93
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

[3-methoxy-3-methyl-1-(3-methylphenyl)butan-2-yl]hydrazine
CID 105245324
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311694
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974
[1-(4-tert-butylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209061
[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105215820
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
[1-(2,5-difluorophenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208925

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine (CID 105215650) is [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine is Cc1cccc(CC(NN)C(F)(F)F)c1.
What is the InChIKey of [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is QJPATSAUZOOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7-3-2-4-8(5-7)6-9(15-14)10(11,12)13/h2-5,9,15H,6,14H2,1H3.
What are the key properties of [1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine?
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 218.22 g/mol, XLogP of 1.93, 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-(3-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105215650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).