Monomers
2-Fluorobuta-1,3-diene
Identifiers
IUPAC name
2-fluorobuta-1,3-diene
InchI
InChI=1S/C4H5F/c1-3-4(2)5/h3H,1-2H2
InchI Key
BQHQZFUAEAVJRE-UHFFFAOYSA-N
SMILES
C=CC(=C)F
Canonical SMILES
C=CC(=C)F
Isomeric SMILES
C=CC(=C)F
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5F
Heavy Atom Count
5
Molecular Weight
72.082
Exact Molecular Weight
72.0375
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.6556
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
-1.7445 -0.2180 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6592 0.0695 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6644 -0.0633 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7351 0.2399 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7599 -0.5050 -1.5553 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.6520 -0.5659 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7209 -0.1161 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7259 0.4188 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7260 0.1533 0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6170 0.5867 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
3 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers