(E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine

C6H9F2N — CID 176710969

IUPAC(E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-5(4-9-2)6(7)8/h3-4,6H,1-2H3/b5-3+,9-4+
InChIKeyQJFQGKASCYJVRR-BMVOEDMYSA-N
MW133.14 g/mol
LogP1.90
Rot. Bonds2

About (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine

(E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine (PubChem CID 176710969) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine
PubChem CID176710969
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine
SMILESC/C=C(\C=N\C)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-5(4-9-2)6(7)8/h3-4,6H,1-2H3/b5-3+,9-4+
InChIKeyQJFQGKASCYJVRR-BMVOEDMYSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine?
The IUPAC name of (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine (CID 176710969) is (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine?
The canonical SMILES for (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine is C/C=C(\C=N\C)C(F)F.
What is the InChIKey of (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine?
The InChIKey is QJFQGKASCYJVRR-BMVOEDMYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-3-5(4-9-2)6(7)8/h3-4,6H,1-2H3/b5-3+,9-4+.
What are the key properties of (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine?
(E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine has a molecular weight of 133.14 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(difluoromethyl)-N-methylbut-2-en-1-imine is sourced from PubChem (CID 176710969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).