(E)-3-fluoro-N-methylbut-2-en-1-imine

C5H8FN — CID 146227339

IUPAC(E)-3-fluoro-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(\C)F
InChIInChI=1S/C5H8FN/c1-5(6)3-4-7-2/h3-4H,1-2H3/b5-3+,7-4+
InChIKeyKFARSSXZTBSWSA-HJIKTHEYSA-N
MW101.12 g/mol
LogP1.56
Rot. Bonds1

About (E)-3-fluoro-N-methylbut-2-en-1-imine

(E)-3-fluoro-N-methylbut-2-en-1-imine (PubChem CID 146227339) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (E)-3-fluoro-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methylbut-2-en-1-imine
PubChem CID146227339
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(E)-3-fluoro-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(\C)F
InChIInChI=1S/C5H8FN/c1-5(6)3-4-7-2/h3-4H,1-2H3/b5-3+,7-4+
InChIKeyKFARSSXZTBSWSA-HJIKTHEYSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(E)-5-Azahepta-2,4-diene
CID 5463161
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
(E)-2-fluoro-N-propylbut-2-en-1-imine
CID 123142232
2-fluoro-N-propan-2-ylbut-2-en-1-imine
CID 123204656
2-fluoro-N-methylprop-2-en-1-imine
CID 123271021
3-fluoro-N-methylprop-2-en-1-imine
CID 123404468
2-fluoro-N-methylbut-2-en-1-imine
CID 123705296
N-methylbut-2-enimidoyl fluoride
CID 123871369
N-butyl-3-fluoroprop-2-en-1-imine
CID 124032368
(E)-4,4,4-trifluoro-N-methylbut-2-en-1-imine
CID 129163871
N-butyl-2-fluoroprop-2-en-1-imine
CID 129171460

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methylbut-2-en-1-imine?
The IUPAC name of (E)-3-fluoro-N-methylbut-2-en-1-imine (CID 146227339) is (E)-3-fluoro-N-methylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-fluoro-N-methylbut-2-en-1-imine?
The canonical SMILES for (E)-3-fluoro-N-methylbut-2-en-1-imine is C/N=C/C=C(\C)F.
What is the InChIKey of (E)-3-fluoro-N-methylbut-2-en-1-imine?
The InChIKey is KFARSSXZTBSWSA-HJIKTHEYSA-N. The full InChI is InChI=1S/C5H8FN/c1-5(6)3-4-7-2/h3-4H,1-2H3/b5-3+,7-4+.
What are the key properties of (E)-3-fluoro-N-methylbut-2-en-1-imine?
(E)-3-fluoro-N-methylbut-2-en-1-imine has a molecular weight of 101.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methylbut-2-en-1-imine is sourced from PubChem (CID 146227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).