(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone

C13H5BrF4O — CID 66423624

IUPAC(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H5BrF4O/c14-7-3-6(4-8(15)5-7)13(19)9-1-2-10(16)12(18)11(9)17/h1-5H
InChIKeyACYUMGHRSGMYMV-UHFFFAOYSA-N
MW333.08 g/mol
LogP4.24
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone

(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 66423624) has the molecular formula C13H5BrF4O and a molecular weight of 333.08 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID66423624
Molecular FormulaC13H5BrF4O
Molecular Weight333.08 g/mol
Exact Mass331.95
IUPAC Name(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H5BrF4O/c14-7-3-6(4-8(15)5-7)13(19)9-1-2-10(16)12(18)11(9)17/h1-5H
InChIKeyACYUMGHRSGMYMV-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.08
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone (CID 66423624) is (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1cc(F)cc(Br)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is ACYUMGHRSGMYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF4O/c14-7-3-6(4-8(15)5-7)13(19)9-1-2-10(16)12(18)11(9)17/h1-5H.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone?
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 333.08 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 66423624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).