1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene

C12H14BrF — CID 125477226

IUPAC1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
SMILESCC(C)(C)c1ccc(/C(F)=C/Br)cc1
InChIInChI=1S/C12H14BrF/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-8H,1-3H3/b11-8-
InChIKeyCIMBRHVEEXXAOK-FLIBITNWSA-N
MW257.15 g/mol
LogP4.65
Rot. Bonds1

About 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene

1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene (PubChem CID 125477226) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
PubChem CID125477226
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
SMILESCC(C)(C)c1ccc(/C(F)=C/Br)cc1
InChIInChI=1S/C12H14BrF/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-8H,1-3H3/b11-8-
InChIKeyCIMBRHVEEXXAOK-FLIBITNWSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
bis(4-tert-butylphenol);zirconium
CID 87864994
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
CID 147586552
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene
CID 175317835
[amino-(4-tert-butylphenyl)methylidene]azanium
CID 6346947
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929
CID 157428380
CID 157428380

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene?
The IUPAC name of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene (CID 125477226) is 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene.
What is the SMILES notation for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene?
The canonical SMILES for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene is CC(C)(C)c1ccc(/C(F)=C/Br)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene?
The InChIKey is CIMBRHVEEXXAOK-FLIBITNWSA-N. The full InChI is InChI=1S/C12H14BrF/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-8H,1-3H3/b11-8-.
What are the key properties of 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene?
1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene has a molecular weight of 257.15 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene is sourced from PubChem (CID 125477226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).