1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene

C14H10BrClF2 — CID 81461235

IUPAC1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
SMILESFc1ccc(CC(Br)c2cccc(F)c2Cl)cc1
InChIInChI=1S/C14H10BrClF2/c15-12(8-9-4-6-10(17)7-5-9)11-2-1-3-13(18)14(11)16/h1-7,12H,8H2
InChIKeyGBHUQOITUQRBTD-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.30
Rot. Bonds3

About 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene

1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene (PubChem CID 81461235) has the molecular formula C14H10BrClF2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
PubChem CID81461235
Molecular FormulaC14H10BrClF2
Molecular Weight331.59 g/mol
Exact Mass329.96
IUPAC Name1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene
SMILESFc1ccc(CC(Br)c2cccc(F)c2Cl)cc1
InChIInChI=1S/C14H10BrClF2/c15-12(8-9-4-6-10(17)7-5-9)11-2-1-3-13(18)14(11)16/h1-7,12H,8H2
InChIKeyGBHUQOITUQRBTD-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 55.30
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-[1-bromo-2-(3,4-difluorophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461470
1-[1-bromo-2-(4-nitrophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461161
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
3-[2-bromo-2-(2-chloro-3-fluorophenyl)ethyl]thiophene
CID 81462005
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461469
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
2-bromo-1-[1-bromo-2-(4-chlorophenyl)ethyl]-4-fluorobenzene
CID 63542273
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 63542087
5-[1-bromo-2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018356
1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
CID 63542441

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene?
The IUPAC name of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene (CID 81461235) is 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene?
The canonical SMILES for 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene is Fc1ccc(CC(Br)c2cccc(F)c2Cl)cc1.
What is the InChIKey of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene?
The InChIKey is GBHUQOITUQRBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2/c15-12(8-9-4-6-10(17)7-5-9)11-2-1-3-13(18)14(11)16/h1-7,12H,8H2.
What are the key properties of 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene?
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene has a molecular weight of 331.59 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-chloro-3-fluorobenzene is sourced from PubChem (CID 81461235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).