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
-1.7684 0.3289 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6075 -0.1681 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6382 0.1581 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7604 -0.3630 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6113 1.0117 1.3641 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.6511 0.0545 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8243 1.0121 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6280 -0.8684 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7912 -1.0471 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6781 -0.1186 0.4333 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