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

C14H10BrClF2 — CID 63543533

IUPAC1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1cccc(CC(Cl)c2cc(F)ccc2Br)c1
InChIInChI=1S/C14H10BrClF2/c15-13-5-4-11(18)8-12(13)14(16)7-9-2-1-3-10(17)6-9/h1-6,8,14H,7H2
InChIKeyNAJSNMHNMRAVCT-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.25
Rot. Bonds3

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

1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene (PubChem CID 63543533) has the molecular formula C14H10BrClF2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
PubChem CID63543533
Molecular FormulaC14H10BrClF2
Molecular Weight331.59 g/mol
Exact Mass329.96
IUPAC Name1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
SMILESFc1cccc(CC(Cl)c2cc(F)ccc2Br)c1
InChIInChI=1S/C14H10BrClF2/c15-13-5-4-11(18)8-12(13)14(16)7-9-2-1-3-10(17)6-9/h1-6,8,14H,7H2
InChIKeyNAJSNMHNMRAVCT-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
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-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
CID 105399717
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene
CID 114026446
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
CID 105412511

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene (CID 63543533) is 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene is Fc1cccc(CC(Cl)c2cc(F)ccc2Br)c1.
What is the InChIKey of 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene?
The InChIKey is NAJSNMHNMRAVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2/c15-13-5-4-11(18)8-12(13)14(16)7-9-2-1-3-10(17)6-9/h1-6,8,14H,7H2.
What are the key properties of 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene?
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene has a molecular weight of 331.59 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 63543533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).