N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride

C8H10FN — CID 155133424

IUPACN-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C\C(=C)C
InChIInChI=1S/C8H10FN/c1-4-8(9)10-6-5-7(2)3/h4-6H,1-2H2,3H3/b6-5-,10-8-
InChIKeyQGABAOQEMMNZGP-XUTLIFGGSA-N
MW139.17 g/mol
LogP2.63
Rot. Bonds3

About N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride

N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride (PubChem CID 155133424) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride
PubChem CID155133424
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C=C\C(=C)C
InChIInChI=1S/C8H10FN/c1-4-8(9)10-6-5-7(2)3/h4-6H,1-2H2,3H3/b6-5-,10-8-
InChIKeyQGABAOQEMMNZGP-XUTLIFGGSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.63
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-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride?
The IUPAC name of N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride (CID 155133424) is N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride.
What is the SMILES notation for N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride?
The canonical SMILES for N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride is C=C/C(F)=N/C=C\C(=C)C.
What is the InChIKey of N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride?
The InChIKey is QGABAOQEMMNZGP-XUTLIFGGSA-N. The full InChI is InChI=1S/C8H10FN/c1-4-8(9)10-6-5-7(2)3/h4-6H,1-2H2,3H3/b6-5-,10-8-.
What are the key properties of N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride?
N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride has a molecular weight of 139.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-methylbuta-1,3-dienyl]prop-2-enimidoyl fluoride is sourced from PubChem (CID 155133424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).