(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine

C9H12F3N3 — CID 105206014

IUPAC(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
SMILESNNC(Cc1cccnc1)CC(F)(F)F
InChIInChI=1S/C9H12F3N3/c10-9(11,12)5-8(15-13)4-7-2-1-3-14-6-7/h1-3,6,8,15H,4-5,13H2
InChIKeyAIEZMADLZUYLAA-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.41
Rot. Bonds4

About (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine

(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine (PubChem CID 105206014) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine.

Molecular Properties

Compound Name(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
PubChem CID105206014
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
SMILESNNC(Cc1cccnc1)CC(F)(F)F
InChIInChI=1S/C9H12F3N3/c10-9(11,12)5-8(15-13)4-7-2-1-3-14-6-7/h1-3,6,8,15H,4-5,13H2
InChIKeyAIEZMADLZUYLAA-UHFFFAOYSA-N
XLogP1.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.41
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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Related Compounds

4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
(4-cyclopentyl-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105333724
[1-(furan-3-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105212117
(4-cyclohexyl-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105333703
[1-(6-methoxy-3-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105250534
[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206174
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
[1-(5-ethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105212070
[2-pyridin-3-yl-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105333794
[1-(2-methyltetrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 107066017

Frequently Asked Questions

What is the IUPAC name of (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine?
The IUPAC name of (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine (CID 105206014) is (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine.
What is the SMILES notation for (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine?
The canonical SMILES for (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine is NNC(Cc1cccnc1)CC(F)(F)F.
What is the InChIKey of (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine?
The InChIKey is AIEZMADLZUYLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)5-8(15-13)4-7-2-1-3-14-6-7/h1-3,6,8,15H,4-5,13H2.
What are the key properties of (4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine?
(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine has a molecular weight of 219.21 g/mol, XLogP of 1.41, 4 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-pyridin-3-ylbutan-2-yl)hydrazine is sourced from PubChem (CID 105206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).