(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine

C12H19FN2 — CID 129102967

IUPAC(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine
SMILES[H]/N=C(C(\F)=C/N=C(C)C)/C(=C/C)C(C)C
InChIInChI=1S/C12H19FN2/c1-6-10(8(2)3)12(14)11(13)7-15-9(4)5/h6-8,14H,1-5H3/b10-6+,11-7+,14-12-
InChIKeyHPQIPVDGUIEYJW-RVCVQGHKSA-N
MW210.30 g/mol
LogP3.90
Rot. Bonds4

About (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine

(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine (PubChem CID 129102967) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine.

Molecular Properties

Compound Name(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine
PubChem CID129102967
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine
SMILES[H]/N=C(C(\F)=C/N=C(C)C)/C(=C/C)C(C)C
InChIInChI=1S/C12H19FN2/c1-6-10(8(2)3)12(14)11(13)7-15-9(4)5/h6-8,14H,1-5H3/b10-6+,11-7+,14-12-
InChIKeyHPQIPVDGUIEYJW-RVCVQGHKSA-N
XLogP3.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine?
The IUPAC name of (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine (CID 129102967) is (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine.
What is the SMILES notation for (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine?
The canonical SMILES for (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine is [H]/N=C(C(\F)=C/N=C(C)C)/C(=C/C)C(C)C.
What is the InChIKey of (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine?
The InChIKey is HPQIPVDGUIEYJW-RVCVQGHKSA-N. The full InChI is InChI=1S/C12H19FN2/c1-6-10(8(2)3)12(14)11(13)7-15-9(4)5/h6-8,14H,1-5H3/b10-6+,11-7+,14-12-.
What are the key properties of (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine?
(1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine has a molecular weight of 210.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-2-fluoro-4-propan-2-yl-1-N-propan-2-ylidenehexa-1,4-diene-1,3-diimine is sourced from PubChem (CID 129102967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).