[2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine

C14H28F3N3 — CID 105240313

IUPAC[2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine
SMILESCC(C)(C(CCCC(F)(F)F)NN)N1CCCCCC1
InChIInChI=1S/C14H28F3N3/c1-13(2,20-10-5-3-4-6-11-20)12(19-18)8-7-9-14(15,16)17/h12,19H,3-11,18H2,1-2H3
InChIKeyOHWUMYCSJZSFPT-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.21
Rot. Bonds6

About [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine

[2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine (PubChem CID 105240313) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine
PubChem CID105240313
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC Name[2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine
SMILESCC(C)(C(CCCC(F)(F)F)NN)N1CCCCCC1
InChIInChI=1S/C14H28F3N3/c1-13(2,20-10-5-3-4-6-11-20)12(19-18)8-7-9-14(15,16)17/h12,19H,3-11,18H2,1-2H3
InChIKeyOHWUMYCSJZSFPT-UHFFFAOYSA-N
XLogP3.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine?
The IUPAC name of [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine (CID 105240313) is [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine.
What is the SMILES notation for [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine?
The canonical SMILES for [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine is CC(C)(C(CCCC(F)(F)F)NN)N1CCCCCC1.
What is the InChIKey of [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine?
The InChIKey is OHWUMYCSJZSFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-13(2,20-10-5-3-4-6-11-20)12(19-18)8-7-9-14(15,16)17/h12,19H,3-11,18H2,1-2H3.
What are the key properties of [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine?
[2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine has a molecular weight of 295.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-7,7,7-trifluoro-2-methylheptan-3-yl]hydrazine is sourced from PubChem (CID 105240313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).