[6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine

C9H19F3N2O2 — CID 103151604

IUPAC[6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
SMILESCOCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O2/c1-15-5-2-3-8(14-13)4-6-16-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyWBIOOBLPRXKIES-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.21
Rot. Bonds9

About [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine

[6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine (PubChem CID 103151604) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
PubChem CID103151604
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name[6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
SMILESCOCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O2/c1-15-5-2-3-8(14-13)4-6-16-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyWBIOOBLPRXKIES-UHFFFAOYSA-N
XLogP1.21
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine?
The IUPAC name of [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine (CID 103151604) is [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine.
What is the SMILES notation for [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine?
The canonical SMILES for [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine is COCCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine?
The InChIKey is WBIOOBLPRXKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-15-5-2-3-8(14-13)4-6-16-7-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine?
[6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine has a molecular weight of 244.26 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine is sourced from PubChem (CID 103151604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).