(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

C15H6BrF5O — CID 6160846

IUPAC(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1Br
InChIInChI=1S/C15H6BrF5O/c16-9-4-2-1-3-7(9)10(22)6-5-8-11(17)13(19)15(21)14(20)12(8)18/h1-6H/b6-5+
InChIKeyBRDPVGWHSFQTAJ-AATRIKPKSA-N
MW377.11 g/mol
LogP5.04
Rot. Bonds3

About (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one (PubChem CID 6160846) has the molecular formula C15H6BrF5O and a molecular weight of 377.11 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
PubChem CID6160846
Molecular FormulaC15H6BrF5O
Molecular Weight377.11 g/mol
Exact Mass375.95
IUPAC Name(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1Br
InChIInChI=1S/C15H6BrF5O/c16-9-4-2-1-3-7(9)10(22)6-5-8-11(17)13(19)15(21)14(20)12(8)18/h1-6H/b6-5+
InChIKeyBRDPVGWHSFQTAJ-AATRIKPKSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.11
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 9448324
(E)-3-anthracen-9-yl-1-(2-bromophenyl)prop-2-en-1-one
CID 139080207
(E)-1-(2-bromophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6241202
(E)-1-(2-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11623260
(E)-1-(2,6-difluorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 8853474
(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one
CID 153319984
(E)-1-(2-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 7947000
(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
CID 87742582
(E)-1-(4-bromothiophen-2-yl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 19569455
(E)-1-(2-bromophenyl)-5-phenylpent-2-en-4-yn-1-one
CID 122385866
(E)-1-(2-bromophenyl)-3-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]prop-2-en-1-one
CID 8856649
2,3,5,6-tetrafluoro-4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 135025586

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one (CID 6160846) is (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one?
The InChIKey is BRDPVGWHSFQTAJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H6BrF5O/c16-9-4-2-1-3-7(9)10(22)6-5-8-11(17)13(19)15(21)14(20)12(8)18/h1-6H/b6-5+.
What are the key properties of (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one?
(E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one has a molecular weight of 377.11 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 6160846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).