(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine

C7H15F3N2O — CID 105205872

IUPAC(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine
SMILESCCCOCC(CC(F)(F)F)NN
InChIInChI=1S/C7H15F3N2O/c1-2-3-13-5-6(12-11)4-7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyWNBZLVYUSUMRQM-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.20
Rot. Bonds6

About (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine

(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine (PubChem CID 105205872) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine.

Molecular Properties

Compound Name(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine
PubChem CID105205872
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Name(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine
SMILESCCCOCC(CC(F)(F)F)NN
InChIInChI=1S/C7H15F3N2O/c1-2-3-13-5-6(12-11)4-7(8,9)10/h6,12H,2-5,11H2,1H3
InChIKeyWNBZLVYUSUMRQM-UHFFFAOYSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine?
The IUPAC name of (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine (CID 105205872) is (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine.
What is the SMILES notation for (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine?
The canonical SMILES for (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine is CCCOCC(CC(F)(F)F)NN.
What is the InChIKey of (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine?
The InChIKey is WNBZLVYUSUMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O/c1-2-3-13-5-6(12-11)4-7(8,9)10/h6,12H,2-5,11H2,1H3.
What are the key properties of (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine?
(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine has a molecular weight of 200.20 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine is sourced from PubChem (CID 105205872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).