(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone

C14H8BrClF2O — CID 115794398

IUPAC(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(Br)c2Cl)c1F
InChIInChI=1S/C14H8BrClF2O/c1-7-5-6-10(17)11(13(7)18)14(19)8-3-2-4-9(15)12(8)16/h2-6H,1H3
InChIKeyIOCFNKBTPNQZIN-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.92
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone

(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone (PubChem CID 115794398) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
PubChem CID115794398
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cccc(Br)c2Cl)c1F
InChIInChI=1S/C14H8BrClF2O/c1-7-5-6-10(17)11(13(7)18)14(19)8-3-2-4-9(15)12(8)16/h2-6H,1H3
InChIKeyIOCFNKBTPNQZIN-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971268
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840121
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone (CID 115794398) is (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cccc(Br)c2Cl)c1F.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
The InChIKey is IOCFNKBTPNQZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c1-7-5-6-10(17)11(13(7)18)14(19)8-3-2-4-9(15)12(8)16/h2-6H,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone?
(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone has a molecular weight of 345.57 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone is sourced from PubChem (CID 115794398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).