[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone

C22H12F6O2 — CID 162354741

IUPAC[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H12F6O2/c23-21(24,25)17-5-1-3-15(11-17)19(29)13-7-9-14(10-8-13)20(30)16-4-2-6-18(12-16)22(26,27)28/h1-12H
InChIKeyASDQIHHVUKNWLL-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.19
Rot. Bonds4

About [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 162354741) has the molecular formula C22H12F6O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID162354741
Molecular FormulaC22H12F6O2
Molecular Weight422.32 g/mol
Exact Mass422.07
IUPAC Name[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H12F6O2/c23-21(24,25)17-5-1-3-15(11-17)19(29)13-7-9-14(10-8-13)20(30)16-4-2-6-18(12-16)22(26,27)28/h1-12H
InChIKeyASDQIHHVUKNWLL-UHFFFAOYSA-N
XLogP6.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone (CID 162354741) is [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ASDQIHHVUKNWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6O2/c23-21(24,25)17-5-1-3-15(11-17)19(29)13-7-9-14(10-8-13)20(30)16-4-2-6-18(12-16)22(26,27)28/h1-12H.
What are the key properties of [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 422.32 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 162354741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).