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

C11H23F3N2O2 — CID 103151680

IUPAC[6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCOC(C)(C)CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H23F3N2O2/c1-10(2,17-3)6-4-9(16-15)5-7-18-8-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyOQNCEAMZHSDKAA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.99
Rot. Bonds9

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

[6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (PubChem CID 103151680) has the molecular formula C11H23F3N2O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
PubChem CID103151680
Molecular FormulaC11H23F3N2O2
Molecular Weight272.31 g/mol
Exact Mass272.17
IUPAC Name[6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCOC(C)(C)CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H23F3N2O2/c1-10(2,17-3)6-4-9(16-15)5-7-18-8-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyOQNCEAMZHSDKAA-UHFFFAOYSA-N
XLogP1.99
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.99
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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Related Compounds

[7,7,7-Trifluoro-1-(2-methoxyethoxy)heptan-3-yl]hydrazine
CID 102929865
(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
(1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
CID 103026460
(1,1,1-Trifluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103026599
(1,1-Difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103027034
6-Methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148221
1-(2,2-Difluoroethoxy)-6-methoxy-6-methylheptan-3-amine
CID 103149124
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
1-(2,2,2-Trifluoroethoxy)heptan-3-ylhydrazine
CID 103151459

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The IUPAC name of [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (CID 103151680) is [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.
What is the SMILES notation for [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The canonical SMILES for [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is COC(C)(C)CCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The InChIKey is OQNCEAMZHSDKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2/c1-10(2,17-3)6-4-9(16-15)5-7-18-8-11(12,13)14/h9,16H,4-8,15H2,1-3H3.
What are the key properties of [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
[6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine has a molecular weight of 272.31 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is sourced from PubChem (CID 103151680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).