(1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine

C8H17F3N2O — CID 105205868

IUPAC(1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine
SMILESCOCCC(C)C(CC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O/c1-6(3-4-14-2)7(13-12)5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3
InChIKeyHJJPWQYYGRFQBJ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.44
Rot. Bonds6

About (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine

(1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine (PubChem CID 105205868) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine
PubChem CID105205868
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name(1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine
SMILESCOCCC(C)C(CC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O/c1-6(3-4-14-2)7(13-12)5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3
InChIKeyHJJPWQYYGRFQBJ-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine (CID 105205868) is (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine is COCCC(C)C(CC(F)(F)F)NN.
What is the InChIKey of (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine?
The InChIKey is HJJPWQYYGRFQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-6(3-4-14-2)7(13-12)5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine?
(1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine has a molecular weight of 214.23 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-6-methoxy-4-methylhexan-3-yl)hydrazine is sourced from PubChem (CID 105205868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).