[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C10H17F3N4O — CID 103217822

IUPAC[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCn1ccnc1CCC(COCC(F)(F)F)NN
InChIInChI=1S/C10H17F3N4O/c1-17-5-4-15-9(17)3-2-8(16-14)6-18-7-10(11,12)13/h4-5,8,16H,2-3,6-7,14H2,1H3
InChIKeyBFHWMXMXDHWWFS-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.76
Rot. Bonds7

About [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103217822) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103217822
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCn1ccnc1CCC(COCC(F)(F)F)NN
InChIInChI=1S/C10H17F3N4O/c1-17-5-4-15-9(17)3-2-8(16-14)6-18-7-10(11,12)13/h4-5,8,16H,2-3,6-7,14H2,1H3
InChIKeyBFHWMXMXDHWWFS-UHFFFAOYSA-N
XLogP0.76
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(1-methylimidazol-2-yl)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydrazine
CID 105340446
[4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-yl]hydrazine
CID 105340257
[5-methyl-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105199029
[4-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103217867
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
[5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-yl]hydrazine
CID 105340442
1-(1-methylimidazol-2-yl)hex-5-en-3-ylhydrazine
CID 105269747
1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215332
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103217822) is [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is Cn1ccnc1CCC(COCC(F)(F)F)NN.
What is the InChIKey of [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is BFHWMXMXDHWWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-17-5-4-15-9(17)3-2-8(16-14)6-18-7-10(11,12)13/h4-5,8,16H,2-3,6-7,14H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 266.27 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103217822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).