1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine

C5H8F2N2 — CID 167021338

IUPAC1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine
SMILESC=CC(=C)N(N)C(F)F
InChIInChI=1S/C5H8F2N2/c1-3-4(2)9(8)5(6)7/h3,5H,1-2,8H2
InChIKeyXSFPGCZBMJAHLT-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.08
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine

1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine (PubChem CID 167021338) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine
PubChem CID167021338
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine
SMILESC=CC(=C)N(N)C(F)F
InChIInChI=1S/C5H8F2N2/c1-3-4(2)9(8)5(6)7/h3,5H,1-2,8H2
InChIKeyXSFPGCZBMJAHLT-UHFFFAOYSA-N
XLogP1.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine?
The IUPAC name of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine (CID 167021338) is 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine is C=CC(=C)N(N)C(F)F.
What is the InChIKey of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine?
The InChIKey is XSFPGCZBMJAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-3-4(2)9(8)5(6)7/h3,5H,1-2,8H2.
What are the key properties of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine?
1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine has a molecular weight of 134.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-1-(difluoromethyl)hydrazine is sourced from PubChem (CID 167021338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).