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
1.6791 -0.5649 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5321 0.0232 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5523 -0.0084 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6743 0.5952 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4562 -0.6380 -1.6589 F 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 -0.5340 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8580 -1.0986 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4123 0.5341 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 1.1007 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5015 0.5907 -0.8593 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