[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride

C9H11ClF4N2 — CID 164677806

IUPAC[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride
SMILESCl.NNC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C9H10F4N2.ClH/c10-7-3-1-6(2-4-7)8(15-14)5-9(11,12)13;/h1-4,8,15H,5,14H2;1H
InChIKeyVKMYEMOTPXIBQV-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.70
Rot. Bonds3

About [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride

[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride (PubChem CID 164677806) has the molecular formula C9H11ClF4N2 and a molecular weight of 258.65 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride
PubChem CID164677806
Molecular FormulaC9H11ClF4N2
Molecular Weight258.65 g/mol
Exact Mass258.05
IUPAC Name[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride
SMILESCl.NNC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C9H10F4N2.ClH/c10-7-3-1-6(2-4-7)8(15-14)5-9(11,12)13;/h1-4,8,15H,5,14H2;1H
InChIKeyVKMYEMOTPXIBQV-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.70
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 [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride?
The IUPAC name of [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride (CID 164677806) is [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride.
What is the SMILES notation for [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride?
The canonical SMILES for [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride is Cl.NNC(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride?
The InChIKey is VKMYEMOTPXIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2.ClH/c10-7-3-1-6(2-4-7)8(15-14)5-9(11,12)13;/h1-4,8,15H,5,14H2;1H.
What are the key properties of [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride?
[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride has a molecular weight of 258.65 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(4-fluorophenyl)propyl]hydrazine;hydrochloride is sourced from PubChem (CID 164677806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).