1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene

C15H11BrF2 — CID 24762261

IUPAC1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene
SMILESFc1ccc(C/C=C/c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H11BrF2/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h1-2,4-10H,3H2/b2-1+
InChIKeyJQUVRIIRBGETCM-OWOJBTEDSA-N
MW309.15 g/mol
LogP4.98
Rot. Bonds3

About 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene

1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene (PubChem CID 24762261) has the molecular formula C15H11BrF2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene
PubChem CID24762261
Molecular FormulaC15H11BrF2
Molecular Weight309.15 g/mol
Exact Mass308.00
IUPAC Name1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene
SMILESFc1ccc(C/C=C/c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C15H11BrF2/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h1-2,4-10H,3H2/b2-1+
InChIKeyJQUVRIIRBGETCM-OWOJBTEDSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2,4-difluorobenzene
CID 24762264
2,4-difluoro-1-[(E)-3-(4-methylphenyl)prop-2-enyl]benzene
CID 24762267
2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
CID 173119979
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
3-(4-bromophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 66667100
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
CID 88874839
CID 88874839
N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856145

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene (CID 24762261) is 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene is Fc1ccc(C/C=C/c2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene?
The InChIKey is JQUVRIIRBGETCM-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H11BrF2/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h1-2,4-10H,3H2/b2-1+.
What are the key properties of 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene?
1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene has a molecular weight of 309.15 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene is sourced from PubChem (CID 24762261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).