[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

C14H21F3N2 — CID 105293250

IUPAC[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCC(C)C(C)C(Cc1cccc(C(F)(F)F)c1)NN
InChIInChI=1S/C14H21F3N2/c1-9(2)10(3)13(19-18)8-11-5-4-6-12(7-11)14(15,16)17/h4-7,9-10,13,19H,8,18H2,1-3H3
InChIKeyQHRSWENAYXMXLJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.37
Rot. Bonds5

About [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine

[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (PubChem CID 105293250) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
PubChem CID105293250
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
SMILESCC(C)C(C)C(Cc1cccc(C(F)(F)F)c1)NN
InChIInChI=1S/C14H21F3N2/c1-9(2)10(3)13(19-18)8-11-5-4-6-12(7-11)14(15,16)17/h4-7,9-10,13,19H,8,18H2,1-3H3
InChIKeyQHRSWENAYXMXLJ-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.37
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

N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine (CID 105293250) is [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is CC(C)C(C)C(Cc1cccc(C(F)(F)F)c1)NN.
What is the InChIKey of [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
The InChIKey is QHRSWENAYXMXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-9(2)10(3)13(19-18)8-11-5-4-6-12(7-11)14(15,16)17/h4-7,9-10,13,19H,8,18H2,1-3H3.
What are the key properties of [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine?
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 105293250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).