1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene

C10H4BrClF6 — CID 150645095

IUPAC1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)C(Cl)=Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H4BrClF6/c11-7-2-1-6(9(13,14)15)3-5(7)4-8(12)10(16,17)18/h1-4H
InChIKeyJASCRYFZYSCGIR-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.61
Rot. Bonds1

About 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene

1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene (PubChem CID 150645095) has the molecular formula C10H4BrClF6 and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene
PubChem CID150645095
Molecular FormulaC10H4BrClF6
Molecular Weight353.49 g/mol
Exact Mass351.91
IUPAC Name1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)C(Cl)=Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H4BrClF6/c11-7-2-1-6(9(13,14)15)3-5(7)4-8(12)10(16,17)18/h1-4H
InChIKeyJASCRYFZYSCGIR-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene (CID 150645095) is 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene is FC(F)(F)C(Cl)=Cc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene?
The InChIKey is JASCRYFZYSCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF6/c11-7-2-1-6(9(13,14)15)3-5(7)4-8(12)10(16,17)18/h1-4H.
What are the key properties of 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene?
1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene has a molecular weight of 353.49 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 150645095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).