1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene

C9H4BrF5 — CID 10039675

IUPAC1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene
SMILESFC(F)=C(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H4BrF5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13,14)15/h1-4H
InChIKeyVIGZIGNDORZRMM-UHFFFAOYSA-N
MW287.03 g/mol
LogP4.62
Rot. Bonds1

About 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene

1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene (PubChem CID 10039675) has the molecular formula C9H4BrF5 and a molecular weight of 287.03 g/mol. Its IUPAC name is 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene
PubChem CID10039675
Molecular FormulaC9H4BrF5
Molecular Weight287.03 g/mol
Exact Mass285.94
IUPAC Name1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene
SMILESFC(F)=C(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H4BrF5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13,14)15/h1-4H
InChIKeyVIGZIGNDORZRMM-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.03
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene (CID 10039675) is 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene is FC(F)=C(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
The InChIKey is VIGZIGNDORZRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF5/c10-6-3-1-5(2-4-6)7(8(11)12)9(13,14)15/h1-4H.
What are the key properties of 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene?
1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene has a molecular weight of 287.03 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 10039675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).