1-(2-bromo-1-phenylethenyl)-4-fluorobenzene

C14H10BrF — CID 172688289

IUPAC1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
SMILESFc1ccc(C(=CBr)c2ccccc2)cc1
InChIInChI=1S/C14H10BrF/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-10H
InChIKeyBIGLJIVLAJXMGG-UHFFFAOYSA-N
MW277.14 g/mol
LogP4.61
Rot. Bonds2

About 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene

1-(2-bromo-1-phenylethenyl)-4-fluorobenzene (PubChem CID 172688289) has the molecular formula C14H10BrF and a molecular weight of 277.14 g/mol. Its IUPAC name is 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
PubChem CID172688289
Molecular FormulaC14H10BrF
Molecular Weight277.14 g/mol
Exact Mass275.99
IUPAC Name1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
SMILESFc1ccc(C(=CBr)c2ccccc2)cc1
InChIInChI=1S/C14H10BrF/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-10H
InChIKeyBIGLJIVLAJXMGG-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
1-[(Z)-2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
CID 24774231
1-[2-bromo-1-(4-fluorophenyl)ethenyl]-2-nitrobenzene
CID 86243498
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
(4-fluorophenyl)-phenylmethanone
CID 161464622
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
1-(2,2-diphenylethenylselanyl)-4-fluorobenzene
CID 150580942
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene?
The IUPAC name of 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene (CID 172688289) is 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene?
The canonical SMILES for 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene is Fc1ccc(C(=CBr)c2ccccc2)cc1.
What is the InChIKey of 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene?
The InChIKey is BIGLJIVLAJXMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-10H.
What are the key properties of 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene?
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene has a molecular weight of 277.14 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-phenylethenyl)-4-fluorobenzene is sourced from PubChem (CID 172688289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).