1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene

C15H10BrF3 — CID 168738433

IUPAC1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene
SMILESFc1ccc(C(F)(F)C=Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H10BrF3/c16-13-3-1-2-11(10-13)8-9-15(18,19)12-4-6-14(17)7-5-12/h1-10H
InChIKeyZUGYBVRPOVJKMP-UHFFFAOYSA-N
MW327.14 g/mol
LogP5.39
Rot. Bonds3

About 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene

1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene (PubChem CID 168738433) has the molecular formula C15H10BrF3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene
PubChem CID168738433
Molecular FormulaC15H10BrF3
Molecular Weight327.14 g/mol
Exact Mass325.99
IUPAC Name1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene
SMILESFc1ccc(C(F)(F)C=Cc2cccc(Br)c2)cc1
InChIInChI=1S/C15H10BrF3/c16-13-3-1-2-11(10-13)8-9-15(18,19)12-4-6-14(17)7-5-12/h1-10H
InChIKeyZUGYBVRPOVJKMP-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.14
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene?
The IUPAC name of 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene (CID 168738433) is 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene?
The canonical SMILES for 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene is Fc1ccc(C(F)(F)C=Cc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene?
The InChIKey is ZUGYBVRPOVJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3/c16-13-3-1-2-11(10-13)8-9-15(18,19)12-4-6-14(17)7-5-12/h1-10H.
What are the key properties of 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene?
1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene has a molecular weight of 327.14 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3,3-difluoro-3-(4-fluorophenyl)prop-1-enyl]benzene is sourced from PubChem (CID 168738433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).