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

C13H5BrF4O — CID 79743346

IUPAC(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1F
InChIInChI=1S/C13H5BrF4O/c14-7-1-2-9(15)8(5-7)13(19)6-3-10(16)12(18)11(17)4-6/h1-5H
InChIKeyDOJYZWSKBLBSHV-UHFFFAOYSA-N
MW333.08 g/mol
LogP4.24
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 79743346) has the molecular formula C13H5BrF4O and a molecular weight of 333.08 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
PubChem CID79743346
Molecular FormulaC13H5BrF4O
Molecular Weight333.08 g/mol
Exact Mass331.95
IUPAC Name(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1F
InChIInChI=1S/C13H5BrF4O/c14-7-1-2-9(15)8(5-7)13(19)6-3-10(16)12(18)11(17)4-6/h1-5H
InChIKeyDOJYZWSKBLBSHV-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

(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 115784588
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
CID 84604720
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 43337782
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone (CID 79743346) is (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is DOJYZWSKBLBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF4O/c14-7-1-2-9(15)8(5-7)13(19)6-3-10(16)12(18)11(17)4-6/h1-5H.
What are the key properties of (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone?
(5-bromo-2-fluorophenyl)-(3,4,5-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 (5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 79743346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).