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'}

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Related Compounds

1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
CID 176698285
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
4-chloro-2-ethenyl-6-fluorophenol
CID 89379565
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
1,2-dichloro-4-ethenyl-3-fluorobenzene
CID 126581088
2-(3-chloro-4-ethenylphenyl)ethanamine
CID 130050942
2,4-dichloro-1-ethenylbenzene;styrene
CID 67764431
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
1-chloro-4,5-difluoro-2-iodobenzene
CID 56965571
2-(4-chloro-3-ethenylphenyl)acetonitrile
CID 164915260
1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 107477207
(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
CID 163378744

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).