(1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine

C8H15F3N2 — CID 105206041

IUPAC(1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine
SMILESNNC(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c9-8(10,11)5-7(13-12)4-6-2-1-3-6/h6-7,13H,1-5,12H2
InChIKeyXDJOWMSVYMUYLC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.96
Rot. Bonds4

About (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine

(1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine (PubChem CID 105206041) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine
PubChem CID105206041
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine
SMILESNNC(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c9-8(10,11)5-7(13-12)4-6-2-1-3-6/h6-7,13H,1-5,12H2
InChIKeyXDJOWMSVYMUYLC-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine?
The IUPAC name of (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine (CID 105206041) is (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine.
What is the SMILES notation for (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine?
The canonical SMILES for (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine is NNC(CC1CCC1)CC(F)(F)F.
What is the InChIKey of (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine?
The InChIKey is XDJOWMSVYMUYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)5-7(13-12)4-6-2-1-3-6/h6-7,13H,1-5,12H2.
What are the key properties of (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine?
(1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine has a molecular weight of 196.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-4,4,4-trifluorobutan-2-yl)hydrazine is sourced from PubChem (CID 105206041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).