[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine

C11H23F3N2O — CID 103151573

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

About [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine

[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (PubChem CID 103151573) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
PubChem CID103151573
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCCC(CC)CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H23F3N2O/c1-3-9(4-2)7-10(16-15)5-6-17-8-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3
InChIKeyAIHGBZHDUXAPBR-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

1-(2,2,2-trifluoroethoxy)pentan-3-ylhydrazine
CID 103151464
[5-ethyl-1-(2-methoxyethoxy)heptan-3-yl]hydrazine
CID 102929866
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
[7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151566
1-(2,2,2-trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
(5-methyl-1-propoxyheptan-3-yl)hydrazine
CID 105298541
[1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217630
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 107066481
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151695

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The IUPAC name of [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (CID 103151573) is [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.
What is the SMILES notation for [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The canonical SMILES for [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is CCC(CC)CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The InChIKey is AIHGBZHDUXAPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-3-9(4-2)7-10(16-15)5-6-17-8-11(12,13)14/h9-10,16H,3-8,15H2,1-2H3.
What are the key properties of [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-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 [5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is sourced from PubChem (CID 103151573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).