(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine

C8H12FN — CID 167515069

IUPAC(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine
SMILESC/C=C\C=N/C(F)=C\CC
InChIInChI=1S/C8H12FN/c1-3-5-7-10-8(9)6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,10-7-
InChIKeyVOLIDPPXCUDBDI-MUSLVLRVSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds3

About (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine

(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine (PubChem CID 167515069) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine
PubChem CID167515069
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine
SMILESC/C=C\C=N/C(F)=C\CC
InChIInChI=1S/C8H12FN/c1-3-5-7-10-8(9)6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,10-7-
InChIKeyVOLIDPPXCUDBDI-MUSLVLRVSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
N-ethenylethanimine;(Z)-5,5,5-trifluoropent-2-ene
CID 143532055
N-[(E)-3,3-difluorobut-1-enyl]prop-2-en-1-imine
CID 144130311
(E)-N-ethenyl-2-fluorobut-2-en-1-imine
CID 145541980
(Z)-N-(fluoromethyl)but-2-en-1-imine
CID 154033399
(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
CID 166528353
2-fluoro-4-methyl-4H-azepine
CID 168934095
N-[(Z)-but-1-enyl]-2-fluoroprop-2-en-1-imine
CID 169603743

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine?
The IUPAC name of (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine (CID 167515069) is (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine is C/C=C\C=N/C(F)=C\CC.
What is the InChIKey of (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine?
The InChIKey is VOLIDPPXCUDBDI-MUSLVLRVSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-5-7-10-8(9)6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,10-7-.
What are the key properties of (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine?
(Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-[(E)-1-fluorobut-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 167515069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).