1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene

C9H5BrClF3 — CID 177387883

IUPAC1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
SMILESFC(F)(F)/C=C(\Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H5BrClF3/c10-8(5-9(12,13)14)6-1-3-7(11)4-2-6/h1-5H/b8-5-
InChIKeyOCIMCVJJISPGAU-YVMONPNESA-N
MW285.49 g/mol
LogP4.64
Rot. Bonds1

About 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene

1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene (PubChem CID 177387883) has the molecular formula C9H5BrClF3 and a molecular weight of 285.49 g/mol. Its IUPAC name is 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
PubChem CID177387883
Molecular FormulaC9H5BrClF3
Molecular Weight285.49 g/mol
Exact Mass283.92
IUPAC Name1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
SMILESFC(F)(F)/C=C(\Br)c1ccc(Cl)cc1
InChIInChI=1S/C9H5BrClF3/c10-8(5-9(12,13)14)6-1-3-7(11)4-2-6/h1-5H/b8-5-
InChIKeyOCIMCVJJISPGAU-YVMONPNESA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-[(Z)-1-azido-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene
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1-chloro-4-(1-fluoroprop-1-enyl)benzene
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1-[(Z)-2-bromo-1-fluoroethenyl]-4-chlorobenzene
CID 125477288
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4-chloro(13C)benzoic acid
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4-chlorobenzoic acid;fluoromethane
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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene?
The IUPAC name of 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene (CID 177387883) is 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene?
The canonical SMILES for 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene is FC(F)(F)/C=C(\Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene?
The InChIKey is OCIMCVJJISPGAU-YVMONPNESA-N. The full InChI is InChI=1S/C9H5BrClF3/c10-8(5-9(12,13)14)6-1-3-7(11)4-2-6/h1-5H/b8-5-.
What are the key properties of 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene?
1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene has a molecular weight of 285.49 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-bromo-3,3,3-trifluoroprop-1-enyl]-4-chlorobenzene is sourced from PubChem (CID 177387883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).