1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene

C14H9F5 — CID 10378519

IUPAC1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene
SMILESCc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1C
InChIInChI=1S/C14H9F5/c1-6-4-3-5-8(7(6)2)9-10(15)12(17)14(19)13(18)11(9)16/h3-5H,1-2H3
InChIKeyOPEMOUJWGRLHSS-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.67
Rot. Bonds1

About 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene

1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 10378519) has the molecular formula C14H9F5 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID10378519
Molecular FormulaC14H9F5
Molecular Weight272.22 g/mol
Exact Mass272.06
IUPAC Name1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene
SMILESCc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1C
InChIInChI=1S/C14H9F5/c1-6-4-3-5-8(7(6)2)9-10(15)12(17)14(19)13(18)11(9)16/h3-5H,1-2H3
InChIKeyOPEMOUJWGRLHSS-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene (CID 10378519) is 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene is Cc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is OPEMOUJWGRLHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5/c1-6-4-3-5-8(7(6)2)9-10(15)12(17)14(19)13(18)11(9)16/h3-5H,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene?
1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 272.22 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 10378519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).