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

C15H7BrF6O — CID 172878103

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H7BrF6O/c16-12-4-2-1-3-11(12)13(23)8-5-9(14(17,18)19)7-10(6-8)15(20,21)22/h1-7H
InChIKeyFRNFQYRPYZVMLB-UHFFFAOYSA-N
MW397.11 g/mol
LogP5.72
Rot. Bonds2

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

[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone (PubChem CID 172878103) has the molecular formula C15H7BrF6O and a molecular weight of 397.11 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
PubChem CID172878103
Molecular FormulaC15H7BrF6O
Molecular Weight397.11 g/mol
Exact Mass395.96
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Br
InChIInChI=1S/C15H7BrF6O/c16-12-4-2-1-3-11(12)13(23)8-5-9(14(17,18)19)7-10(6-8)15(20,21)22/h1-7H
InChIKeyFRNFQYRPYZVMLB-UHFFFAOYSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
(2-bromophenyl)-[6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methanone
CID 162620979
[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone
CID 140549408
[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
CID 114970525
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
[2-(2-bromophenyl)-2-oxoethyl]-dimethylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139728107
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 79595938
[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone
CID 114962698
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone (CID 172878103) is [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Br.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone?
The InChIKey is FRNFQYRPYZVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF6O/c16-12-4-2-1-3-11(12)13(23)8-5-9(14(17,18)19)7-10(6-8)15(20,21)22/h1-7H.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone has a molecular weight of 397.11 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone is sourced from PubChem (CID 172878103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).