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

C7H13F3N2 — CID 105205837

IUPAC(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine
SMILESNNC(CC1CC1)CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c8-7(9,10)4-6(12-11)3-5-1-2-5/h5-6,12H,1-4,11H2
InChIKeyXFHBYGROGJDNKB-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds4

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

(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine (PubChem CID 105205837) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine
PubChem CID105205837
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine
SMILESNNC(CC1CC1)CC(F)(F)F
InChIInChI=1S/C7H13F3N2/c8-7(9,10)4-6(12-11)3-5-1-2-5/h5-6,12H,1-4,11H2
InChIKeyXFHBYGROGJDNKB-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.57
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-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine?
The IUPAC name of (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine (CID 105205837) is (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine.
What is the SMILES notation for (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine?
The canonical SMILES for (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine is NNC(CC1CC1)CC(F)(F)F.
What is the InChIKey of (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine?
The InChIKey is XFHBYGROGJDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c8-7(9,10)4-6(12-11)3-5-1-2-5/h5-6,12H,1-4,11H2.
What are the key properties of (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine?
(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine has a molecular weight of 182.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine is sourced from PubChem (CID 105205837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).