(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone

C13H7BrClFO — CID 105394203

IUPAC(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C13H7BrClFO/c14-11-4-2-1-3-9(11)13(17)10-7-8(16)5-6-12(10)15/h1-7H
InChIKeyDUMLVGMSLBCOCT-UHFFFAOYSA-N
MW313.55 g/mol
LogP4.47
Rot. Bonds2

About (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone

(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone (PubChem CID 105394203) has the molecular formula C13H7BrClFO and a molecular weight of 313.55 g/mol. Its IUPAC name is (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
PubChem CID105394203
Molecular FormulaC13H7BrClFO
Molecular Weight313.55 g/mol
Exact Mass311.94
IUPAC Name(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C13H7BrClFO/c14-11-4-2-1-3-9(11)13(17)10-7-8(16)5-6-12(10)15/h1-7H
InChIKeyDUMLVGMSLBCOCT-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone?
The IUPAC name of (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone (CID 105394203) is (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone is O=C(c1cc(F)ccc1Cl)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone?
The InChIKey is DUMLVGMSLBCOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFO/c14-11-4-2-1-3-9(11)13(17)10-7-8(16)5-6-12(10)15/h1-7H.
What are the key properties of (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone?
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone has a molecular weight of 313.55 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone is sourced from PubChem (CID 105394203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).