(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone

C13H6BrF3O — CID 43337432

IUPAC(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrF3O/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6H
InChIKeyNSPOKVFGCNRDPM-UHFFFAOYSA-N
MW315.09 g/mol
LogP4.10
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone

(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone (PubChem CID 43337432) has the molecular formula C13H6BrF3O and a molecular weight of 315.09 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
PubChem CID43337432
Molecular FormulaC13H6BrF3O
Molecular Weight315.09 g/mol
Exact Mass313.96
IUPAC Name(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrF3O/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6H
InChIKeyNSPOKVFGCNRDPM-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105116420
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(E)-3-(4-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832402
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone (CID 43337432) is (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone?
The InChIKey is NSPOKVFGCNRDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3O/c14-7-1-3-11(16)9(5-7)13(18)10-6-8(15)2-4-12(10)17/h1-6H.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone?
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone has a molecular weight of 315.09 g/mol, XLogP of 4.10, 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)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 43337432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).