(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone

C11H4BrF3OS — CID 115784139

IUPAC(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cscc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H4BrF3OS/c12-7-4-17-3-6(7)11(16)5-1-2-8(13)10(15)9(5)14/h1-4H
InChIKeyHELHTFJVBRJKPV-UHFFFAOYSA-N
MW321.12 g/mol
LogP4.16
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone

(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 115784139) has the molecular formula C11H4BrF3OS and a molecular weight of 321.12 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID115784139
Molecular FormulaC11H4BrF3OS
Molecular Weight321.12 g/mol
Exact Mass319.91
IUPAC Name(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cscc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H4BrF3OS/c12-7-4-17-3-6(7)11(16)5-1-2-8(13)10(15)9(5)14/h1-4H
InChIKeyHELHTFJVBRJKPV-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
CID 114088321
(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 79595945
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone (CID 115784139) is (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone is O=C(c1cscc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is HELHTFJVBRJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF3OS/c12-7-4-17-3-6(7)11(16)5-1-2-8(13)10(15)9(5)14/h1-4H.
What are the key properties of (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone?
(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 321.12 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 115784139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).