1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine

C9H19F3N2O — CID 103217361

IUPAC1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine
SMILESCCCCCC(COCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-2-3-4-5-8(14-13)6-15-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyICQCKLIIYBLFEI-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.98
Rot. Bonds8

About 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine

1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine (PubChem CID 103217361) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine
PubChem CID103217361
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine
SMILESCCCCCC(COCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-2-3-4-5-8(14-13)6-15-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyICQCKLIIYBLFEI-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

[7,7,7-Trifluoro-1-(2-methoxyethoxy)heptan-3-yl]hydrazine
CID 102929865
1-(2,2,2-Trifluoroethoxy)heptan-3-ylhydrazine
CID 103151459
1-(2,2,2-Trifluoroethoxy)undecan-3-ylhydrazine
CID 103151462
1-(2,2,2-Trifluoroethoxy)octan-3-ylhydrazine
CID 103151463
[7,7,7-Trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151566
1-(2,2,2-Trifluoroethoxy)decan-3-ylhydrazine
CID 103151589
1-(2,2,2-Trifluoroethoxy)tridecan-3-ylhydrazine
CID 103151590
1-(2,2,2-Trifluoroethoxy)dodecan-3-ylhydrazine
CID 103151591
[6-Methoxy-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151604
1-(2,2,2-Trifluoroethoxy)nonan-3-ylhydrazine
CID 103151607
1-(2,2,2-Trifluoroethoxy)hexan-3-ylhydrazine
CID 103151645
[6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151646

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine (CID 103217361) is 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine is CCCCCC(COCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine?
The InChIKey is ICQCKLIIYBLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-3-4-5-8(14-13)6-15-7-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine?
1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine has a molecular weight of 228.26 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)heptan-2-ylhydrazine is sourced from PubChem (CID 103217361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).