C#CC1=CC(=CC=C1)F
CAS: 2561-17-3
Name: 1-ethynyl-3-fluorobenzene
SMILES: C#CC1=CC(=CC=C1)F

Molecular Processing

Molecular formula
C8H5F
Molecular weight
120.13
Exact mass
120.0375
XLogP
1.81
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0
Molar refractivity
34.34

Supplementary Information

InChIKey: PTRUTZFCVFUTMW-UHFFFAOYSA-N
Synonyme
1-Ethynyl-3-fluorobenzeneRefChem:432702628-768-83-Fluorophenylacetylene2561-17-31-ethynyl-3-fluoro-benzeneBenzene, 1-ethynyl-3-fluoro-3'-fluorophenyl acetyleneMFCD030937983-fluorophenyl acetylene3-FC6H4CCHethynyl-3-fluorobenzene3-fluorophenyl-acetylene(3-fluorophenyl)-ethyne1-ethynyl-3fluorobenzene3-ethynyl-1-fluorobenzeneSCHEMBL69131-ethynyl-3-fluorobenzene;SCHEMBL405775SCHEMBL1419567SCHEMBL1859766SCHEMBL3219040SCHEMBL17046357SCHEMBL29739031DTXSID303342841-Ethynyl-3-fluorobenzene, 98%AC-420SBB064527AKOS009158105CS-W013579
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