2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene

C14H10BrClF2 — CID 63543762

IUPAC2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
SMILESFc1cccc(F)c1C(Br)Cc1ccccc1Cl
InChIInChI=1S/C14H10BrClF2/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2
InChIKeyWGEIVQUVADOIHG-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.30
Rot. Bonds3

About 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene (PubChem CID 63543762) has the molecular formula C14H10BrClF2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
PubChem CID63543762
Molecular FormulaC14H10BrClF2
Molecular Weight331.59 g/mol
Exact Mass329.96
IUPAC Name2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
SMILESFc1cccc(F)c1C(Br)Cc1ccccc1Cl
InChIInChI=1S/C14H10BrClF2/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2
InChIKeyWGEIVQUVADOIHG-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

2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
CID 65152060
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
3-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 63543941
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-1-chloro-3-fluorobenzene
CID 63531404
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
[1-(2-bromo-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105209469
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene (CID 63543762) is 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene is Fc1cccc(F)c1C(Br)Cc1ccccc1Cl.
What is the InChIKey of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene?
The InChIKey is WGEIVQUVADOIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2/c15-10(8-9-4-1-2-5-11(9)16)14-12(17)6-3-7-13(14)18/h1-7,10H,8H2.
What are the key properties of 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene?
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene 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 2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 63543762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).