[3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite

C15H13F3O — CID 118067721

IUPAC[3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite
SMILESCc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C
InChIInChI=1S/C15H13F3O/c1-8-4-11(6-13(16)10(8)3)15-9(2)5-12(19-18)7-14(15)17/h4-7H,1-3H3
InChIKeyVPJDLQFZZLHULD-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.82
Rot. Bonds2

About [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite

[3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite (PubChem CID 118067721) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite.

Molecular Properties

Compound Name[3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite
PubChem CID118067721
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name[3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite
SMILESCc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C
InChIInChI=1S/C15H13F3O/c1-8-4-11(6-13(16)10(8)3)15-9(2)5-12(19-18)7-14(15)17/h4-7H,1-3H3
InChIKeyVPJDLQFZZLHULD-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite?
The IUPAC name of [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite (CID 118067721) is [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite.
What is the SMILES notation for [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite?
The canonical SMILES for [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite is Cc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C.
What is the InChIKey of [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite?
The InChIKey is VPJDLQFZZLHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-8-4-11(6-13(16)10(8)3)15-9(2)5-12(19-18)7-14(15)17/h4-7H,1-3H3.
What are the key properties of [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite?
[3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite has a molecular weight of 266.26 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-fluoro-4,5-dimethylphenyl)-5-methylphenyl] hypofluorite is sourced from PubChem (CID 118067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).