1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene

C14H10BrCl2F — CID 81462158

IUPAC1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
SMILESFc1cccc(C(Cl)Cc2ccc(Br)cc2)c1Cl
InChIInChI=1S/C14H10BrCl2F/c15-10-6-4-9(5-7-10)8-12(16)11-2-1-3-13(18)14(11)17/h1-7,12H,8H2
InChIKeyDZBAGUQEXLLOMB-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.76
Rot. Bonds3

About 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene

1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene (PubChem CID 81462158) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
PubChem CID81462158
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
SMILESFc1cccc(C(Cl)Cc2ccc(Br)cc2)c1Cl
InChIInChI=1S/C14H10BrCl2F/c15-10-6-4-9(5-7-10)8-12(16)11-2-1-3-13(18)14(11)17/h1-7,12H,8H2
InChIKeyDZBAGUQEXLLOMB-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.04
LogP ≤ 55.76
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

1-[2-(4-bromophenyl)-1-chloroethyl]-2-fluoro-3-methylbenzene
CID 81477923
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461235
1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
CID 82891112
1-[1-bromo-2-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
2-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]quinoline
CID 81451336
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63543380
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
1-[1-bromo-2-(4-nitrophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461161
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-chloro-3-fluorobenzene
CID 81461836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene (CID 81462158) is 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene is Fc1cccc(C(Cl)Cc2ccc(Br)cc2)c1Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene?
The InChIKey is DZBAGUQEXLLOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c15-10-6-4-9(5-7-10)8-12(16)11-2-1-3-13(18)14(11)17/h1-7,12H,8H2.
What are the key properties of 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene?
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene has a molecular weight of 348.04 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 81462158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).