1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone

C15H10ClF3O — CID 118807758

IUPAC1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H10ClF3O/c1-9(20)10-6-11(8-12(16)7-10)13-4-2-3-5-14(13)15(17,18)19/h2-8H,1H3
InChIKeyYTFKRBVRFWNMOX-UHFFFAOYSA-N
MW298.69 g/mol
LogP5.23
Rot. Bonds2

About 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone

1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone (PubChem CID 118807758) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone
PubChem CID118807758
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)cc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H10ClF3O/c1-9(20)10-6-11(8-12(16)7-10)13-4-2-3-5-14(13)15(17,18)19/h2-8H,1H3
InChIKeyYTFKRBVRFWNMOX-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.69
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone (CID 118807758) is 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone is CC(=O)c1cc(Cl)cc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone?
The InChIKey is YTFKRBVRFWNMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c1-9(20)10-6-11(8-12(16)7-10)13-4-2-3-5-14(13)15(17,18)19/h2-8H,1H3.
What are the key properties of 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone?
1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone has a molecular weight of 298.69 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 118807758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).