2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine

C8H12FN — CID 90153802

IUPAC2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(F)=C(C)C
InChIInChI=1S/C8H12FN/c1-6(2)8(9)5-10-7(3)4/h5H,3H2,1-2,4H3/b10-5+
InChIKeyPODJNOOUYZNASJ-BJMVGYQFSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds2

About 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine

2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 90153802) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID90153802
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C/C(F)=C(C)C
InChIInChI=1S/C8H12FN/c1-6(2)8(9)5-10-7(3)4/h5H,3H2,1-2,4H3/b10-5+
InChIKeyPODJNOOUYZNASJ-BJMVGYQFSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
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 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine (CID 90153802) is 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C/C(F)=C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is PODJNOOUYZNASJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)8(9)5-10-7(3)4/h5H,3H2,1-2,4H3/b10-5+.
What are the key properties of 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine?
2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 90153802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).