N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride

C6H7ClFN — CID 174320512

IUPACN-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C(F)/C=C\N=C(/C)Cl
InChIInChI=1S/C6H7ClFN/c1-5(8)3-4-9-6(2)7/h3-4H,1H2,2H3/b4-3-,9-6+
InChIKeyGXAIGDLPHNIXSE-ZNUQQGBJSA-N
MW147.58 g/mol
LogP2.64
Rot. Bonds2

About N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride

N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride (PubChem CID 174320512) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride
PubChem CID174320512
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC NameN-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride
SMILESC=C(F)/C=C\N=C(/C)Cl
InChIInChI=1S/C6H7ClFN/c1-5(8)3-4-9-6(2)7/h3-4H,1H2,2H3/b4-3-,9-6+
InChIKeyGXAIGDLPHNIXSE-ZNUQQGBJSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 52.64
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 N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride?
The IUPAC name of N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride (CID 174320512) is N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride?
The canonical SMILES for N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride is C=C(F)/C=C\N=C(/C)Cl.
What is the InChIKey of N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride?
The InChIKey is GXAIGDLPHNIXSE-ZNUQQGBJSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-5(8)3-4-9-6(2)7/h3-4H,1H2,2H3/b4-3-,9-6+.
What are the key properties of N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride?
N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride has a molecular weight of 147.58 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-fluorobuta-1,3-dienyl]ethanimidoyl chloride is sourced from PubChem (CID 174320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).