1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene

C14H10BrCl2F — CID 63543838

IUPAC1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
SMILESFc1cccc(CC(Br)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10BrCl2F/c15-14(5-9-2-1-3-13(18)4-9)10-6-11(16)8-12(17)7-10/h1-4,6-8,14H,5H2
InChIKeyUDSOPWLCFOCBMA-UHFFFAOYSA-N
MW348.04 g/mol
LogP5.81
Rot. Bonds3

About 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene

1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene (PubChem CID 63543838) has the molecular formula C14H10BrCl2F and a molecular weight of 348.04 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
PubChem CID63543838
Molecular FormulaC14H10BrCl2F
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
SMILESFc1cccc(CC(Br)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10BrCl2F/c15-14(5-9-2-1-3-13(18)4-9)10-6-11(16)8-12(17)7-10/h1-4,6-8,14H,5H2
InChIKeyUDSOPWLCFOCBMA-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
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-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
1-[2-bromo-2-(4-tert-butylphenyl)ethyl]-3-fluorobenzene
CID 63439710
3-[1-bromo-2-(3-fluorophenyl)ethyl]furan
CID 63018725
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890576
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-propylbenzene
CID 63440508
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene?
The IUPAC name of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene (CID 63543838) is 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene is Fc1cccc(CC(Br)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene?
The InChIKey is UDSOPWLCFOCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2F/c15-14(5-9-2-1-3-13(18)4-9)10-6-11(16)8-12(17)7-10/h1-4,6-8,14H,5H2.
What are the key properties of 1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene?
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene has a molecular weight of 348.04 g/mol, XLogP of 5.81, 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-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene is sourced from PubChem (CID 63543838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).