N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine

C8H10FN — CID 166998224

IUPACN-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine
SMILESC=CC(=C)/C=N/C=C(\C)F
InChIInChI=1S/C8H10FN/c1-4-7(2)5-10-6-8(3)9/h4-6H,1-2H2,3H3/b8-6+,10-5+
InChIKeyZFQYGAFETUQMKI-SOYUKNQTSA-N
MW139.17 g/mol
LogP2.63
Rot. Bonds3

About N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine

N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine (PubChem CID 166998224) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine
PubChem CID166998224
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine
SMILESC=CC(=C)/C=N/C=C(\C)F
InChIInChI=1S/C8H10FN/c1-4-7(2)5-10-6-8(3)9/h4-6H,1-2H2,3H3/b8-6+,10-5+
InChIKeyZFQYGAFETUQMKI-SOYUKNQTSA-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-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine?
The IUPAC name of N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine (CID 166998224) is N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine.
What is the SMILES notation for N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine?
The canonical SMILES for N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine is C=CC(=C)/C=N/C=C(\C)F.
What is the InChIKey of N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine?
The InChIKey is ZFQYGAFETUQMKI-SOYUKNQTSA-N. The full InChI is InChI=1S/C8H10FN/c1-4-7(2)5-10-6-8(3)9/h4-6H,1-2H2,3H3/b8-6+,10-5+.
What are the key properties of N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine?
N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine 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-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine is sourced from PubChem (CID 166998224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).