(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone

C14H7Br2F3O — CID 107976795

IUPAC(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Br2F3O/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)14(17,18)19/h1-7H
InChIKeyGMFDUXGOPBSUHN-UHFFFAOYSA-N
MW408.01 g/mol
LogP5.46
Rot. Bonds2

About (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone

(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 107976795) has the molecular formula C14H7Br2F3O and a molecular weight of 408.01 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID107976795
Molecular FormulaC14H7Br2F3O
Molecular Weight408.01 g/mol
Exact Mass405.88
IUPAC Name(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H7Br2F3O/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)14(17,18)19/h1-7H
InChIKeyGMFDUXGOPBSUHN-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.01
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
[2-amino-3-(trifluoromethyl)phenyl]-(3-bromophenyl)methanone
CID 68669697
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 106856635
[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
CID 24722930
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
potassium 2-(trifluoromethyl)benzoate
CID 162538888

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 107976795) is (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1cc(Br)cc(Br)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GMFDUXGOPBSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2F3O/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)14(17,18)19/h1-7H.
What are the key properties of (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone?
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 408.01 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107976795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).