1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene

C14H8BrCl2F3 — CID 105399766

IUPAC1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
SMILESFc1ccc(CC(Cl)c2cc(Cl)c(Br)cc2F)cc1F
InChIInChI=1S/C14H8BrCl2F3/c15-9-6-13(19)8(5-11(9)17)10(16)3-7-1-2-12(18)14(20)4-7/h1-2,4-6,10H,3H2
InChIKeyCYXOCSSWVOAEEA-UHFFFAOYSA-N
MW384.02 g/mol
LogP6.04
Rot. Bonds3

About 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene

1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene (PubChem CID 105399766) has the molecular formula C14H8BrCl2F3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
PubChem CID105399766
Molecular FormulaC14H8BrCl2F3
Molecular Weight384.02 g/mol
Exact Mass381.91
IUPAC Name1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
SMILESFc1ccc(CC(Cl)c2cc(Cl)c(Br)cc2F)cc1F
InChIInChI=1S/C14H8BrCl2F3/c15-9-6-13(19)8(5-11(9)17)10(16)3-7-1-2-12(18)14(20)4-7/h1-2,4-6,10H,3H2
InChIKeyCYXOCSSWVOAEEA-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.02
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 105399377
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82772537
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105400119
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
CID 107993476
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
CID 63433697
3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran
CID 114103882
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene (CID 105399766) is 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene is Fc1ccc(CC(Cl)c2cc(Cl)c(Br)cc2F)cc1F.
What is the InChIKey of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene?
The InChIKey is CYXOCSSWVOAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2F3/c15-9-6-13(19)8(5-11(9)17)10(16)3-7-1-2-12(18)14(20)4-7/h1-2,4-6,10H,3H2.
What are the key properties of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene?
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene has a molecular weight of 384.02 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene is sourced from PubChem (CID 105399766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).