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

C11H5BrClFOS — CID 61103389

IUPAC(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Br)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H5BrClFOS/c12-10-4-3-9(16-10)11(15)7-5-6(13)1-2-8(7)14/h1-5H
InChIKeyDGTVETAIPPHUKN-UHFFFAOYSA-N
MW319.58 g/mol
LogP4.53
Rot. Bonds2

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

(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 61103389) has the molecular formula C11H5BrClFOS and a molecular weight of 319.58 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID61103389
Molecular FormulaC11H5BrClFOS
Molecular Weight319.58 g/mol
Exact Mass317.89
IUPAC Name(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Br)s1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H5BrClFOS/c12-10-4-3-9(16-10)11(15)7-5-6(13)1-2-8(7)14/h1-5H
InChIKeyDGTVETAIPPHUKN-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62514263
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(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
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(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
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(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
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(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
CID 131162385
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
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(5-bromothiophen-2-yl)-(5-fluoro-1H-indol-3-yl)methanone
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(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-bromothiophen-2-yl)methanone
CID 43463570

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone (CID 61103389) is (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone is O=C(c1ccc(Br)s1)c1cc(Cl)ccc1F.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is DGTVETAIPPHUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFOS/c12-10-4-3-9(16-10)11(15)7-5-6(13)1-2-8(7)14/h1-5H.
What are the key properties of (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone?
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 319.58 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 61103389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).