4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene

C14H11BrClF — CID 19788782

IUPAC4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(CCc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C14H11BrClF/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9H,1-2H2
InChIKeyOHYFZHZOERINJH-UHFFFAOYSA-N
MW313.60 g/mol
LogP5.03
Rot. Bonds3

About 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene

4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene (PubChem CID 19788782) has the molecular formula C14H11BrClF and a molecular weight of 313.60 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene
PubChem CID19788782
Molecular FormulaC14H11BrClF
Molecular Weight313.60 g/mol
Exact Mass311.97
IUPAC Name4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene
SMILESFc1cc(CCc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C14H11BrClF/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9H,1-2H2
InChIKeyOHYFZHZOERINJH-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.60
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene?
The IUPAC name of 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene (CID 19788782) is 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene.
What is the SMILES notation for 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene?
The canonical SMILES for 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene is Fc1cc(CCc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene?
The InChIKey is OHYFZHZOERINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h3-9H,1-2H2.
What are the key properties of 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene?
4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene has a molecular weight of 313.60 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)ethyl]-1-chloro-2-fluorobenzene is sourced from PubChem (CID 19788782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).