[7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine

C11H23F3N2O — CID 103151446

IUPAC[7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
SMILESCC(C)CCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H23F3N2O/c1-9(2)4-3-5-10(16-15)6-7-17-8-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3
InChIKeyJSNRQDCXUQANMN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.61
Rot. Bonds9

About [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine

[7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine (PubChem CID 103151446) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine.

Molecular Properties

Compound Name[7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
PubChem CID103151446
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name[7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
SMILESCC(C)CCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H23F3N2O/c1-9(2)4-3-5-10(16-15)6-7-17-8-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3
InChIKeyJSNRQDCXUQANMN-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.61
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

2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
(1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025356
(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
(1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-yl)hydrazine
CID 103026297
7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
CID 103148163
1-(2,2-Difluoroethoxy)-6-methylheptan-3-amine
CID 103148967
1-(2,2-Difluoroethoxy)-7-methyloctan-3-amine
CID 103149063
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[1-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151457
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
CID 103151458
1-(2,2,2-Trifluoroethoxy)heptan-3-ylhydrazine
CID 103151459

Frequently Asked Questions

What is the IUPAC name of [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine?
The IUPAC name of [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine (CID 103151446) is [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine.
What is the SMILES notation for [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine?
The canonical SMILES for [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine is CC(C)CCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine?
The InChIKey is JSNRQDCXUQANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-9(2)4-3-5-10(16-15)6-7-17-8-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3.
What are the key properties of [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine?
[7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine has a molecular weight of 256.31 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine is sourced from PubChem (CID 103151446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).