(1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine

C9H17F3N2O — CID 105272619

IUPAC(1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine
SMILESCOC(C1CC1)C(CCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-15-8(6-2-3-6)7(14-13)4-5-9(10,11)12/h6-8,14H,2-5,13H2,1H3
InChIKeySMVHCYGYROOSHI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.59
Rot. Bonds6

About (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine

(1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine (PubChem CID 105272619) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine
PubChem CID105272619
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name(1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine
SMILESCOC(C1CC1)C(CCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-15-8(6-2-3-6)7(14-13)4-5-9(10,11)12/h6-8,14H,2-5,13H2,1H3
InChIKeySMVHCYGYROOSHI-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.59
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-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine?
The IUPAC name of (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine (CID 105272619) is (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine.
What is the SMILES notation for (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine?
The canonical SMILES for (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine is COC(C1CC1)C(CCC(F)(F)F)NN.
What is the InChIKey of (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine?
The InChIKey is SMVHCYGYROOSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-15-8(6-2-3-6)7(14-13)4-5-9(10,11)12/h6-8,14H,2-5,13H2,1H3.
What are the key properties of (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine?
(1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine has a molecular weight of 226.24 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-5,5,5-trifluoro-1-methoxypentan-2-yl)hydrazine is sourced from PubChem (CID 105272619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).