N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine

C6H7F2N — CID 142437263

IUPACN-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)C(F)F
InChIInChI=1S/C6H7F2N/c1-3-5(4-9-2)6(7)8/h3-4,6H,1-2H2/b5-4+
InChIKeyYGJYCVXCTPQEHC-SNAWJCMRSA-N
MW131.12 g/mol
LogP2.02
Rot. Bonds3

About N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine

N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine (PubChem CID 142437263) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine
PubChem CID142437263
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC NameN-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)C(F)F
InChIInChI=1S/C6H7F2N/c1-3-5(4-9-2)6(7)8/h3-4,6H,1-2H2/b5-4+
InChIKeyYGJYCVXCTPQEHC-SNAWJCMRSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine (CID 142437263) is N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine is C=C/C(=C\N=C)C(F)F.
What is the InChIKey of N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine?
The InChIKey is YGJYCVXCTPQEHC-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H7F2N/c1-3-5(4-9-2)6(7)8/h3-4,6H,1-2H2/b5-4+.
What are the key properties of N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine?
N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine has a molecular weight of 131.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-(difluoromethyl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 142437263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).