N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide

C12H19FN2 — CID 126707495

IUPACN'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
SMILESC/C=C(F)/C=C(\C)N/C(C)=N/C/C=C/C
InChIInChI=1S/C12H19FN2/c1-5-7-8-14-11(4)15-10(3)9-12(13)6-2/h5-7,9H,8H2,1-4H3,(H,14,15)/b7-5+,10-9+,12-6-
InChIKeyADISTMPOTZFRSF-HSZGWBQVSA-N
MW210.30 g/mol
LogP3.35
Rot. Bonds4

About N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide (PubChem CID 126707495) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
PubChem CID126707495
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
SMILESC/C=C(F)/C=C(\C)N/C(C)=N/C/C=C/C
InChIInChI=1S/C12H19FN2/c1-5-7-8-14-11(4)15-10(3)9-12(13)6-2/h5-7,9H,8H2,1-4H3,(H,14,15)/b7-5+,10-9+,12-6-
InChIKeyADISTMPOTZFRSF-HSZGWBQVSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide (CID 126707495) is N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide is C/C=C(F)/C=C(\C)N/C(C)=N/C/C=C/C.
What is the InChIKey of N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide?
The InChIKey is ADISTMPOTZFRSF-HSZGWBQVSA-N. The full InChI is InChI=1S/C12H19FN2/c1-5-7-8-14-11(4)15-10(3)9-12(13)6-2/h5-7,9H,8H2,1-4H3,(H,14,15)/b7-5+,10-9+,12-6-.
What are the key properties of N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide?
N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide has a molecular weight of 210.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 126707495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).