N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide

C7H11FN2 — CID 123157371

IUPACN'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/C=C(\C)F)/N=C(\C)N
InChIInChI=1S/C7H11FN2/c1-5(8)4-6(2)10-7(3)9/h4H,2H2,1,3H3,(H2,9,10)/b5-4+
InChIKeyHLUDCFSBRSMLAL-SNAWJCMRSA-N
MW142.18 g/mol
LogP1.75
Rot. Bonds2

About N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide

N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide (PubChem CID 123157371) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide
PubChem CID123157371
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC NameN'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/C=C(\C)F)/N=C(\C)N
InChIInChI=1S/C7H11FN2/c1-5(8)4-6(2)10-7(3)9/h4H,2H2,1,3H3,(H2,9,10)/b5-4+
InChIKeyHLUDCFSBRSMLAL-SNAWJCMRSA-N
XLogP1.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.75
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide (CID 123157371) is N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide is C=C(/C=C(\C)F)/N=C(\C)N.
What is the InChIKey of N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is HLUDCFSBRSMLAL-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5(8)4-6(2)10-7(3)9/h4H,2H2,1,3H3,(H2,9,10)/b5-4+.
What are the key properties of N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide?
N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 142.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-4-fluoropenta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 123157371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).