[2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone

C14H7Cl2F3O — CID 569433

IUPAC[2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7Cl2F3O/c15-10-6-9(14(17,18)19)7-11(16)12(10)13(20)8-4-2-1-3-5-8/h1-7H
InChIKeyJDQQCAQGKKODAJ-UHFFFAOYSA-N
MW319.11 g/mol
LogP5.24
Rot. Bonds2

About [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone

[2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone (PubChem CID 569433) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone
PubChem CID569433
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name[2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7Cl2F3O/c15-10-6-9(14(17,18)19)7-11(16)12(10)13(20)8-4-2-1-3-5-8/h1-7H
InChIKeyJDQQCAQGKKODAJ-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.11
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone?
The IUPAC name of [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone (CID 569433) is [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone?
The InChIKey is JDQQCAQGKKODAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-10-6-9(14(17,18)19)7-11(16)12(10)13(20)8-4-2-1-3-5-8/h1-7H.
What are the key properties of [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone?
[2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone has a molecular weight of 319.11 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-(trifluoromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 569433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).