1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene

C14H8Br2F2 — CID 139674428

IUPAC1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)=C(Br)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H8Br2F2/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10/h1-8H
InChIKeyLKBXFVXUOJIXMW-UHFFFAOYSA-N
MW374.02 g/mol
LogP5.58
Rot. Bonds2

About 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene

1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene (PubChem CID 139674428) has the molecular formula C14H8Br2F2 and a molecular weight of 374.02 g/mol. Its IUPAC name is 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
PubChem CID139674428
Molecular FormulaC14H8Br2F2
Molecular Weight374.02 g/mol
Exact Mass371.90
IUPAC Name1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)=C(Br)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H8Br2F2/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10/h1-8H
InChIKeyLKBXFVXUOJIXMW-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.02
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene
CID 125477421
(E)-4-bromo-4-(4-chlorophenyl)-3-(4-fluorophenyl)but-3-en-2-one
CID 135240876
2-[amino-(4-fluorophenyl)methylidene]propanedinitrile
CID 89407680
4-[(Z)-2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101070753
4-[(E)-1,2-dibromo-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 132567170
1,4-difluorobenzene bromide
CID 21301175
1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 11694212
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
1-(4-fluorophenyl)ethenylsilane
CID 175020263
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene?
The IUPAC name of 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene (CID 139674428) is 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene?
The canonical SMILES for 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene is Fc1ccc(C(Br)=C(Br)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene?
The InChIKey is LKBXFVXUOJIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10/h1-8H.
What are the key properties of 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene?
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene has a molecular weight of 374.02 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene is sourced from PubChem (CID 139674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).