[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite

C15H10F3NO — CID 118067719

IUPAC[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite
SMILESCc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C#N
InChIInChI=1S/C15H10F3NO/c1-8-3-10(5-13(16)12(8)7-19)15-9(2)4-11(20-18)6-14(15)17/h3-6H,1-2H3
InChIKeyYCZQWFCAMNXUHH-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.38
Rot. Bonds2

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

[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite (PubChem CID 118067719) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite.

Molecular Properties

Compound Name[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite
PubChem CID118067719
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite
SMILESCc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C#N
InChIInChI=1S/C15H10F3NO/c1-8-3-10(5-13(16)12(8)7-19)15-9(2)4-11(20-18)6-14(15)17/h3-6H,1-2H3
InChIKeyYCZQWFCAMNXUHH-UHFFFAOYSA-N
XLogP4.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite?
The IUPAC name of [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite (CID 118067719) is [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite.
What is the SMILES notation for [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite?
The canonical SMILES for [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite is Cc1cc(-c2c(C)cc(OF)cc2F)cc(F)c1C#N.
What is the InChIKey of [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite?
The InChIKey is YCZQWFCAMNXUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO/c1-8-3-10(5-13(16)12(8)7-19)15-9(2)4-11(20-18)6-14(15)17/h3-6H,1-2H3.
What are the key properties of [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite?
[4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite has a molecular weight of 277.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyano-3-fluoro-5-methylphenyl)-3-fluoro-5-methylphenyl] hypofluorite is sourced from PubChem (CID 118067719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).