(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine

C12H18FN — CID 145128279

IUPAC(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
SMILESC=C(CCC)/N=C(\C)C(=C)/C=C(\C)F
InChIInChI=1S/C12H18FN/c1-6-7-11(4)14-12(5)9(2)8-10(3)13/h8H,2,4,6-7H2,1,3,5H3/b10-8+,14-12+
InChIKeyOLBRHPASROSVFL-SHQVAAIUSA-N
MW195.28 g/mol
LogP4.19
Rot. Bonds5

About (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine

(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine (PubChem CID 145128279) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine.

Molecular Properties

Compound Name(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
PubChem CID145128279
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
SMILESC=C(CCC)/N=C(\C)C(=C)/C=C(\C)F
InChIInChI=1S/C12H18FN/c1-6-7-11(4)14-12(5)9(2)8-10(3)13/h8H,2,4,6-7H2,1,3,5H3/b10-8+,14-12+
InChIKeyOLBRHPASROSVFL-SHQVAAIUSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 54.19
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 (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine?
The IUPAC name of (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine (CID 145128279) is (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine.
What is the SMILES notation for (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine?
The canonical SMILES for (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine is C=C(CCC)/N=C(\C)C(=C)/C=C(\C)F.
What is the InChIKey of (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine?
The InChIKey is OLBRHPASROSVFL-SHQVAAIUSA-N. The full InChI is InChI=1S/C12H18FN/c1-6-7-11(4)14-12(5)9(2)8-10(3)13/h8H,2,4,6-7H2,1,3,5H3/b10-8+,14-12+.
What are the key properties of (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine?
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine has a molecular weight of 195.28 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine is sourced from PubChem (CID 145128279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).