(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone

C11H4Br3FOS — CID 107949935

IUPAC(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1scc(Br)c1Br
InChIInChI=1S/C11H4Br3FOS/c12-6-3-5(1-2-8(6)15)10(16)11-9(14)7(13)4-17-11/h1-4H
InChIKeySIFGZVQCERFXGT-UHFFFAOYSA-N
MW442.93 g/mol
LogP5.41
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone

(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone (PubChem CID 107949935) has the molecular formula C11H4Br3FOS and a molecular weight of 442.93 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
PubChem CID107949935
Molecular FormulaC11H4Br3FOS
Molecular Weight442.93 g/mol
Exact Mass439.75
IUPAC Name(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)c1scc(Br)c1Br
InChIInChI=1S/C11H4Br3FOS/c12-6-3-5(1-2-8(6)15)10(16)11-9(14)7(13)4-17-11/h1-4H
InChIKeySIFGZVQCERFXGT-UHFFFAOYSA-N
XLogP5.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.93
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79602224
(3-bromo-4-fluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methanone
CID 107949916
(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone
CID 79602734
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(3-bromo-4-fluorophenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127475
3-bromo-4-fluorobenzoyl bromide
CID 3018761
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanone
CID 79736368
(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 81323702
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
3-bromo-4-fluorobenzenecarbothioamide
CID 79023809

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone (CID 107949935) is (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone is O=C(c1ccc(F)c(Br)c1)c1scc(Br)c1Br.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone?
The InChIKey is SIFGZVQCERFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br3FOS/c12-6-3-5(1-2-8(6)15)10(16)11-9(14)7(13)4-17-11/h1-4H.
What are the key properties of (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone?
(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone has a molecular weight of 442.93 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 107949935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).