1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene

C13H6Cl2F4 — CID 134623637

IUPAC1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCc1c(F)c(F)c(-c2cc(Cl)cc(Cl)c2)c(F)c1F
InChIInChI=1S/C13H6Cl2F4/c1-5-10(16)12(18)9(13(19)11(5)17)6-2-7(14)4-8(15)3-6/h2-4H,1H3
InChIKeyUEDSLLZJNYJSTI-UHFFFAOYSA-N
MW309.09 g/mol
LogP5.53
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene

1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene (PubChem CID 134623637) has the molecular formula C13H6Cl2F4 and a molecular weight of 309.09 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
PubChem CID134623637
Molecular FormulaC13H6Cl2F4
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCc1c(F)c(F)c(-c2cc(Cl)cc(Cl)c2)c(F)c1F
InChIInChI=1S/C13H6Cl2F4/c1-5-10(16)12(18)9(13(19)11(5)17)6-2-7(14)4-8(15)3-6/h2-4H,1H3
InChIKeyUEDSLLZJNYJSTI-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.09
LogP ≤ 55.53
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
The IUPAC name of 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene (CID 134623637) is 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene is Cc1c(F)c(F)c(-c2cc(Cl)cc(Cl)c2)c(F)c1F.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
The InChIKey is UEDSLLZJNYJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F4/c1-5-10(16)12(18)9(13(19)11(5)17)6-2-7(14)4-8(15)3-6/h2-4H,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene?
1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene has a molecular weight of 309.09 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene is sourced from PubChem (CID 134623637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).