(2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride

C8H10ClF3N2 — CID 20976406

IUPAC(2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride
SMILESCl.NNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2.ClH/c9-8(10,11)7(13-12)6-4-2-1-3-5-6;/h1-5,7,13H,12H2;1H
InChIKeyHKKPCKKLHNJTNJ-UHFFFAOYSA-N
MW226.63 g/mol
LogP2.18
Rot. Bonds2

About (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride

(2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride (PubChem CID 20976406) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride
PubChem CID20976406
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name(2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride
SMILESCl.NNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2.ClH/c9-8(10,11)7(13-12)6-4-2-1-3-5-6;/h1-5,7,13H,12H2;1H
InChIKeyHKKPCKKLHNJTNJ-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.18
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 (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride?
The IUPAC name of (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride (CID 20976406) is (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride.
What is the SMILES notation for (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride?
The canonical SMILES for (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride is Cl.NNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride?
The InChIKey is HKKPCKKLHNJTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c9-8(10,11)7(13-12)6-4-2-1-3-5-6;/h1-5,7,13H,12H2;1H.
What are the key properties of (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride?
(2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride has a molecular weight of 226.63 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-phenylethyl)hydrazine;hydrochloride is sourced from PubChem (CID 20976406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).