(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone

C11H6BrFOS — CID 79742362

IUPAC(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H6BrFOS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6H
InChIKeyHCQYBWSTYJRTRA-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.88
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone

(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone (PubChem CID 79742362) has the molecular formula C11H6BrFOS and a molecular weight of 285.14 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
PubChem CID79742362
Molecular FormulaC11H6BrFOS
Molecular Weight285.14 g/mol
Exact Mass283.93
IUPAC Name(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H6BrFOS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6H
InChIKeyHCQYBWSTYJRTRA-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(4-bromo-5-chloro-2-fluorophenyl)-thiophen-3-ylmethanone
CID 105398225
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 115784588
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
CID 114975240
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
CID 84604720

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone (CID 79742362) is (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone?
The InChIKey is HCQYBWSTYJRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFOS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6H.
What are the key properties of (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone?
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone has a molecular weight of 285.14 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 79742362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).