1-chloro-2-ethenyl-4,5-difluorobenzene

C8H5ClF2 — CID 175575459

IUPAC1-chloro-2-ethenyl-4,5-difluorobenzene
SMILESC=Cc1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H5ClF2/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InChIKeyNYGYJVGGEXYTRJ-UHFFFAOYSA-N
MW174.58 g/mol
LogP3.26
Rot. Bonds1

About 1-chloro-2-ethenyl-4,5-difluorobenzene

1-chloro-2-ethenyl-4,5-difluorobenzene (PubChem CID 175575459) has the molecular formula C8H5ClF2 and a molecular weight of 174.58 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-4,5-difluorobenzene
PubChem CID175575459
Molecular FormulaC8H5ClF2
Molecular Weight174.58 g/mol
Exact Mass174.00
IUPAC Name1-chloro-2-ethenyl-4,5-difluorobenzene
SMILESC=Cc1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H5ClF2/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2
InChIKeyNYGYJVGGEXYTRJ-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-chloro-2-ethenyl-4,5-difluorobenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-ethenyl-4,5-difluorobenzene (CID 175575459) is 1-chloro-2-ethenyl-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-ethenyl-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-ethenyl-4,5-difluorobenzene is C=Cc1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-chloro-2-ethenyl-4,5-difluorobenzene?
The InChIKey is NYGYJVGGEXYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2/c1-2-5-3-7(10)8(11)4-6(5)9/h2-4H,1H2.
What are the key properties of 1-chloro-2-ethenyl-4,5-difluorobenzene?
1-chloro-2-ethenyl-4,5-difluorobenzene has a molecular weight of 174.58 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-4,5-difluorobenzene is sourced from PubChem (CID 175575459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).