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

C9H4BrClF4 — CID 141487041

IUPAC4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene
SMILESFc1cc(Br)ccc1C=C(Cl)C(F)(F)F
InChIInChI=1S/C9H4BrClF4/c10-6-2-1-5(7(12)4-6)3-8(11)9(13,14)15/h1-4H
InChIKeyQDJBFGJMGJKGMR-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.73
Rot. Bonds1

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

4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene (PubChem CID 141487041) has the molecular formula C9H4BrClF4 and a molecular weight of 303.48 g/mol. Its IUPAC name is 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene
PubChem CID141487041
Molecular FormulaC9H4BrClF4
Molecular Weight303.48 g/mol
Exact Mass301.91
IUPAC Name4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene
SMILESFc1cc(Br)ccc1C=C(Cl)C(F)(F)F
InChIInChI=1S/C9H4BrClF4/c10-6-2-1-5(7(12)4-6)3-8(11)9(13,14)15/h1-4H
InChIKeyQDJBFGJMGJKGMR-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene?
The IUPAC name of 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene (CID 141487041) is 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene is Fc1cc(Br)ccc1C=C(Cl)C(F)(F)F.
What is the InChIKey of 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene?
The InChIKey is QDJBFGJMGJKGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF4/c10-6-2-1-5(7(12)4-6)3-8(11)9(13,14)15/h1-4H.
What are the key properties of 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene?
4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene has a molecular weight of 303.48 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene is sourced from PubChem (CID 141487041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).