(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine

C6H8FN — CID 174265540

IUPAC(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C=C(F)\C=N\C
InChIInChI=1S/C6H8FN/c1-3-4-6(7)5-8-2/h3-5H,1H2,2H3/b6-4+,8-5+
InChIKeyYQHPXEBMTYMFDB-HLQBBKRNSA-N
MW113.13 g/mol
LogP1.73
Rot. Bonds2

About (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine

(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine (PubChem CID 174265540) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine
PubChem CID174265540
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C=C(F)\C=N\C
InChIInChI=1S/C6H8FN/c1-3-4-6(7)5-8-2/h3-5H,1H2,2H3/b6-4+,8-5+
InChIKeyYQHPXEBMTYMFDB-HLQBBKRNSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.73
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 (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine (CID 174265540) is (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine is C=C/C=C(F)\C=N\C.
What is the InChIKey of (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine?
The InChIKey is YQHPXEBMTYMFDB-HLQBBKRNSA-N. The full InChI is InChI=1S/C6H8FN/c1-3-4-6(7)5-8-2/h3-5H,1H2,2H3/b6-4+,8-5+.
What are the key properties of (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine?
(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine has a molecular weight of 113.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 174265540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).