1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine

C4H7F3N2 — CID 145239546

IUPAC1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine
SMILESC=C(NNC)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(9-8-2)4(5,6)7/h8-9H,1H2,2H3
InChIKeyKESWLSVCSRSHCD-UHFFFAOYSA-N
MW140.11 g/mol
LogP0.79
Rot. Bonds2

About 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine

1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine (PubChem CID 145239546) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine.

Molecular Properties

Compound Name1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine
PubChem CID145239546
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine
SMILESC=C(NNC)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(9-8-2)4(5,6)7/h8-9H,1H2,2H3
InChIKeyKESWLSVCSRSHCD-UHFFFAOYSA-N
XLogP0.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine?
The IUPAC name of 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine (CID 145239546) is 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine.
What is the SMILES notation for 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine?
The canonical SMILES for 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine is C=C(NNC)C(F)(F)F.
What is the InChIKey of 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine?
The InChIKey is KESWLSVCSRSHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2/c1-3(9-8-2)4(5,6)7/h8-9H,1H2,2H3.
What are the key properties of 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine?
1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine has a molecular weight of 140.11 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)hydrazine is sourced from PubChem (CID 145239546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).