1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene

C15H13BrClF — CID 172767325

IUPAC1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(-c2ccc(F)cc2Br)c1Cl
InChIInChI=1S/C15H13BrClF/c1-9(2)11-4-3-5-13(15(11)17)12-7-6-10(18)8-14(12)16/h3-9H,1-2H3
InChIKeyMMIOEYTUXKWLSX-UHFFFAOYSA-N
MW327.62 g/mol
LogP6.03
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene

1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene (PubChem CID 172767325) has the molecular formula C15H13BrClF and a molecular weight of 327.62 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene
PubChem CID172767325
Molecular FormulaC15H13BrClF
Molecular Weight327.62 g/mol
Exact Mass325.99
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(-c2ccc(F)cc2Br)c1Cl
InChIInChI=1S/C15H13BrClF/c1-9(2)11-4-3-5-13(15(11)17)12-7-6-10(18)8-14(12)16/h3-9H,1-2H3
InChIKeyMMIOEYTUXKWLSX-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.62
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene (CID 172767325) is 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene is CC(C)c1cccc(-c2ccc(F)cc2Br)c1Cl.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene?
The InChIKey is MMIOEYTUXKWLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF/c1-9(2)11-4-3-5-13(15(11)17)12-7-6-10(18)8-14(12)16/h3-9H,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene?
1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene has a molecular weight of 327.62 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-chloro-3-propan-2-ylbenzene is sourced from PubChem (CID 172767325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).