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

C14H6BrF5O — CID 114970525

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H6BrF5O/c15-12-2-1-8(14(18,19)20)5-11(12)13(21)7-3-9(16)6-10(17)4-7/h1-6H
InChIKeyVMWOFRKOQXZURJ-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.98
Rot. Bonds2

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

[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone (PubChem CID 114970525) has the molecular formula C14H6BrF5O and a molecular weight of 365.10 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
PubChem CID114970525
Molecular FormulaC14H6BrF5O
Molecular Weight365.10 g/mol
Exact Mass363.95
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H6BrF5O/c15-12-2-1-8(14(18,19)20)5-11(12)13(21)7-3-9(16)6-10(17)4-7/h1-6H
InChIKeyVMWOFRKOQXZURJ-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-bromo-5-(trifluoromethyl)phenyl]-(3-fluorophenyl)methanone
CID 114962698
(3-bromo-2-fluorophenyl)-[2-bromo-5-(trifluoromethyl)phenyl]methanone
CID 106647447
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598
[2-bromo-5-(trifluoromethyl)phenyl]-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 115798018
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
bis(3,5-difluorophenyl)methanone
CID 2760569
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 114974910

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone (CID 114970525) is [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone?
The InChIKey is VMWOFRKOQXZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF5O/c15-12-2-1-8(14(18,19)20)5-11(12)13(21)7-3-9(16)6-10(17)4-7/h1-6H.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone?
[2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone has a molecular weight of 365.10 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 114970525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).