[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine

C15H21F3N2O — CID 105304775

IUPAC[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESNNC(CCC1CCCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-7-2-1-6-12(13)14(20-19)9-8-11-5-3-4-10-21-11/h1-2,6-7,11,14,20H,3-5,8-10,19H2
InChIKeyQXPJAFWIUDHREV-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.56
Rot. Bonds5

About [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine

[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 105304775) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID105304775
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESNNC(CCC1CCCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-7-2-1-6-12(13)14(20-19)9-8-11-5-3-4-10-21-11/h1-2,6-7,11,14,20H,3-5,8-10,19H2
InChIKeyQXPJAFWIUDHREV-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-4-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 104993115
[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314283
[2-cyclopentyl-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299132
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
[1-(2-fluoro-3-methoxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105329262
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
[1-(2-methylthiophen-3-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 102843428
[1-(1-benzofuran-2-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105337722
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine (CID 105304775) is [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine is NNC(CCC1CCCCO1)c1ccccc1C(F)(F)F.
What is the InChIKey of [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is QXPJAFWIUDHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)13-7-2-1-6-12(13)14(20-19)9-8-11-5-3-4-10-21-11/h1-2,6-7,11,14,20H,3-5,8-10,19H2.
What are the key properties of [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine?
[3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine has a molecular weight of 302.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-2-yl)-1-[2-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 105304775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).