5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

C15H12BrF3 — CID 65297158

IUPAC5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Br)c2cccc(F)c2F)cc(C)c1F
InChIInChI=1S/C15H12BrF3/c1-8-6-10(7-9(2)14(8)18)13(16)11-4-3-5-12(17)15(11)19/h3-7,13H,1-2H3
InChIKeyVFKABXNCVAVLTD-UHFFFAOYSA-N
MW329.16 g/mol
LogP5.21
Rot. Bonds2

About 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene

5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 65297158) has the molecular formula C15H12BrF3 and a molecular weight of 329.16 g/mol. Its IUPAC name is 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID65297158
Molecular FormulaC15H12BrF3
Molecular Weight329.16 g/mol
Exact Mass328.01
IUPAC Name5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Br)c2cccc(F)c2F)cc(C)c1F
InChIInChI=1S/C15H12BrF3/c1-8-6-10(7-9(2)14(8)18)13(16)11-4-3-5-12(17)15(11)19/h3-7,13H,1-2H3
InChIKeyVFKABXNCVAVLTD-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.16
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297096
5-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296857
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-2,3-difluorobenzene
CID 63441120
1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2,3-difluorobenzene
CID 63439256
5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107958952
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 65297158) is 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Br)c2cccc(F)c2F)cc(C)c1F.
What is the InChIKey of 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is VFKABXNCVAVLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3/c1-8-6-10(7-9(2)14(8)18)13(16)11-4-3-5-12(17)15(11)19/h3-7,13H,1-2H3.
What are the key properties of 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 329.16 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 65297158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).