N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine

C8H10FN — CID 91012479

IUPACN-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
SMILESC=C=C(F)/C=N/C(C)=CC
InChIInChI=1S/C8H10FN/c1-4-7(3)10-6-8(9)5-2/h4,6H,2H2,1,3H3/b7-4?,10-6+
InChIKeyCPXZCIKAYJMPKW-FGHJMBHJSA-N
MW139.17 g/mol
LogP2.62
Rot. Bonds2

About N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine

N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine (PubChem CID 91012479) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine.

Molecular Properties

Compound NameN-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
PubChem CID91012479
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
SMILESC=C=C(F)/C=N/C(C)=CC
InChIInChI=1S/C8H10FN/c1-4-7(3)10-6-8(9)5-2/h4,6H,2H2,1,3H3/b7-4?,10-6+
InChIKeyCPXZCIKAYJMPKW-FGHJMBHJSA-N
XLogP2.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine?
The IUPAC name of N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine (CID 91012479) is N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine.
What is the SMILES notation for N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine?
The canonical SMILES for N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine is C=C=C(F)/C=N/C(C)=CC.
What is the InChIKey of N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine?
The InChIKey is CPXZCIKAYJMPKW-FGHJMBHJSA-N. The full InChI is InChI=1S/C8H10FN/c1-4-7(3)10-6-8(9)5-2/h4,6H,2H2,1,3H3/b7-4?,10-6+.
What are the key properties of N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine?
N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine has a molecular weight of 139.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine is sourced from PubChem (CID 91012479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).