(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone

C11H4Br2ClFOS — CID 105398296

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H4Br2ClFOS/c12-6-4-8(15)5(3-7(6)14)11(16)9-1-2-10(13)17-9/h1-4H
InChIKeyPOCWFHBOCYRQCV-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.30
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone

(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone (PubChem CID 105398296) has the molecular formula C11H4Br2ClFOS and a molecular weight of 398.48 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
PubChem CID105398296
Molecular FormulaC11H4Br2ClFOS
Molecular Weight398.48 g/mol
Exact Mass395.80
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
SMILESO=C(c1ccc(Br)s1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H4Br2ClFOS/c12-6-4-8(15)5(3-7(6)14)11(16)9-1-2-10(13)17-9/h1-4H
InChIKeyPOCWFHBOCYRQCV-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 115483522
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 104737850
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone (CID 105398296) is (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone is O=C(c1ccc(Br)s1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone?
The InChIKey is POCWFHBOCYRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2ClFOS/c12-6-4-8(15)5(3-7(6)14)11(16)9-1-2-10(13)17-9/h1-4H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone?
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone has a molecular weight of 398.48 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 105398296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).