[3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C7H15F3N2O — CID 103217230

IUPAC[3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCC(C)C(COCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N2O/c1-5(2)6(12-11)3-13-4-7(8,9)10/h5-6,12H,3-4,11H2,1-2H3
InChIKeyKKYPSFPYUSITRV-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.05
Rot. Bonds5

About [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103217230) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103217230
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name[3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCC(C)C(COCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N2O/c1-5(2)6(12-11)3-13-4-7(8,9)10/h5-6,12H,3-4,11H2,1-2H3
InChIKeyKKYPSFPYUSITRV-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol
CID 42632352
1-Methyl-2-(1,1,1-trifluoro-3-methoxypropan-2-yl)hydrazine
CID 124002349
[(2S)-1-(trifluoromethoxy)propan-2-yl]hydrazine
CID 178260184
[1-Methoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151515
4-(2,2,2-Trifluoroethoxy)butan-2-ylhydrazine
CID 103151606
[4-(2,2-Difluoroethoxy)-1-methoxybutan-2-yl]hydrazine
CID 103151836
4-(2,2-Difluoroethoxy)butan-2-ylhydrazine
CID 103151928
1-(2,2,2-Trifluoroethoxy)butan-2-ylhydrazine
CID 103217232
1-(2,2,2-Trifluoroethoxy)pentan-2-ylhydrazine
CID 103217236
1-(2,2,2-Trifluoroethoxy)propan-2-ylhydrazine
CID 103217240
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-2-yl]hydrazine
CID 103217242
1-(2,2,2-Trifluoroethoxy)hex-4-yn-2-ylhydrazine
CID 103217323

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103217230) is [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is CC(C)C(COCC(F)(F)F)NN.
What is the InChIKey of [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is KKYPSFPYUSITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-5(2)6(12-11)3-13-4-7(8,9)10/h5-6,12H,3-4,11H2,1-2H3.
What are the key properties of [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 200.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103217230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).