(E)-2-fluoro-N-propylbut-2-en-1-imine

C7H12FN — CID 123142232

IUPAC(E)-2-fluoro-N-propylbut-2-en-1-imine
SMILESC/C=C(F)\C=N\CCC
InChIInChI=1S/C7H12FN/c1-3-5-9-6-7(8)4-2/h4,6H,3,5H2,1-2H3/b7-4+,9-6+
InChIKeyOTJPVORENKHGHA-KRHXFINASA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds3

About (E)-2-fluoro-N-propylbut-2-en-1-imine

(E)-2-fluoro-N-propylbut-2-en-1-imine (PubChem CID 123142232) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (E)-2-fluoro-N-propylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-fluoro-N-propylbut-2-en-1-imine
PubChem CID123142232
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(E)-2-fluoro-N-propylbut-2-en-1-imine
SMILESC/C=C(F)\C=N\CCC
InChIInChI=1S/C7H12FN/c1-3-5-9-6-7(8)4-2/h4,6H,3,5H2,1-2H3/b7-4+,9-6+
InChIKeyOTJPVORENKHGHA-KRHXFINASA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.34
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-fluoro-N-propylbut-2-en-1-imine?
The IUPAC name of (E)-2-fluoro-N-propylbut-2-en-1-imine (CID 123142232) is (E)-2-fluoro-N-propylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-fluoro-N-propylbut-2-en-1-imine?
The canonical SMILES for (E)-2-fluoro-N-propylbut-2-en-1-imine is C/C=C(F)\C=N\CCC.
What is the InChIKey of (E)-2-fluoro-N-propylbut-2-en-1-imine?
The InChIKey is OTJPVORENKHGHA-KRHXFINASA-N. The full InChI is InChI=1S/C7H12FN/c1-3-5-9-6-7(8)4-2/h4,6H,3,5H2,1-2H3/b7-4+,9-6+.
What are the key properties of (E)-2-fluoro-N-propylbut-2-en-1-imine?
(E)-2-fluoro-N-propylbut-2-en-1-imine has a molecular weight of 129.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-propylbut-2-en-1-imine is sourced from PubChem (CID 123142232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).