1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene

C13H9BrF2 — CID 58140910

IUPAC1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C13H9BrF2/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(14)6-4-9/h2-7H,1H3
InChIKeyNICPKMPKCCOPOC-UHFFFAOYSA-N
MW283.12 g/mol
LogP4.70
Rot. Bonds1

About 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene

1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene (PubChem CID 58140910) has the molecular formula C13H9BrF2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
PubChem CID58140910
Molecular FormulaC13H9BrF2
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C13H9BrF2/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(14)6-4-9/h2-7H,1H3
InChIKeyNICPKMPKCCOPOC-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene (CID 58140910) is 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene is Cc1ccc(-c2ccc(Br)cc2)c(F)c1F.
What is the InChIKey of 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene?
The InChIKey is NICPKMPKCCOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2/c1-8-2-7-11(13(16)12(8)15)9-3-5-10(14)6-4-9/h2-7H,1H3.
What are the key properties of 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene?
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene has a molecular weight of 283.12 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 58140910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).