[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine

C8H15F3N2O — CID 103151550

IUPAC[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
SMILESC=C(C)C(CCOCC(F)(F)F)NN
InChIInChI=1S/C8H15F3N2O/c1-6(2)7(13-12)3-4-14-5-8(9,10)11/h7,13H,1,3-5,12H2,2H3
InChIKeyMWLJNHMEWLABBK-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.36
Rot. Bonds6

About [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine

[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine (PubChem CID 103151550) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
PubChem CID103151550
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
SMILESC=C(C)C(CCOCC(F)(F)F)NN
InChIInChI=1S/C8H15F3N2O/c1-6(2)7(13-12)3-4-14-5-8(9,10)11/h7,13H,1,3-5,12H2,2H3
InChIKeyMWLJNHMEWLABBK-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.36
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

N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
[7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151566
1-(2,2,2-trifluoroethoxy)pentan-3-ylhydrazine
CID 103151464
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815
1-(2,2,2-trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151573
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040262
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine?
The IUPAC name of [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine (CID 103151550) is [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine.
What is the SMILES notation for [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine?
The canonical SMILES for [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine is C=C(C)C(CCOCC(F)(F)F)NN.
What is the InChIKey of [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine?
The InChIKey is MWLJNHMEWLABBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6(2)7(13-12)3-4-14-5-8(9,10)11/h7,13H,1,3-5,12H2,2H3.
What are the key properties of [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine?
[2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine has a molecular weight of 212.21 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine is sourced from PubChem (CID 103151550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).