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

C10H19F3N2O — CID 103151481

IUPAC[5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESC=C(CC)CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H19F3N2O/c1-3-8(2)6-9(15-14)4-5-16-7-10(11,12)13/h9,15H,2-7,14H2,1H3
InChIKeyIMIOPRFMHVWVQR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.14
Rot. Bonds8

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

[5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (PubChem CID 103151481) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
PubChem CID103151481
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESC=C(CC)CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H19F3N2O/c1-3-8(2)6-9(15-14)4-5-16-7-10(11,12)13/h9,15H,2-7,14H2,1H3
InChIKeyIMIOPRFMHVWVQR-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.14
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-amine
CID 103148956
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-amine
CID 103149006
[6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-yl]hydrazine
CID 103151449
[2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
1-(2,2,2-Trifluoroethoxy)oct-7-en-3-ylhydrazine
CID 103151682
1-(2,2,2-Trifluoroethoxy)hept-6-en-3-ylhydrazine
CID 103151688
[1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151719
[5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-yl]hydrazine
CID 103151729
[1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-yl]hydrazine
CID 103151769
[1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-yl]hydrazine
CID 103151798

Frequently Asked Questions

What is the IUPAC name of [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The IUPAC name of [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (CID 103151481) is [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.
What is the SMILES notation for [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The canonical SMILES for [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is C=C(CC)CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The InChIKey is IMIOPRFMHVWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-3-8(2)6-9(15-14)4-5-16-7-10(11,12)13/h9,15H,2-7,14H2,1H3.
What are the key properties of [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
[5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine has a molecular weight of 240.27 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is sourced from PubChem (CID 103151481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).