(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone

C9H8BrClO2S — CID 80531560

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1cc(Cl)c(Br)s1)C1CCCO1
InChIInChI=1S/C9H8BrClO2S/c10-9-5(11)4-7(14-9)8(12)6-2-1-3-13-6/h4,6H,1-3H2
InChIKeyBFEFYBYTSKFSNR-UHFFFAOYSA-N
MW295.59 g/mol
LogP3.53
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone (PubChem CID 80531560) has the molecular formula C9H8BrClO2S and a molecular weight of 295.59 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone
PubChem CID80531560
Molecular FormulaC9H8BrClO2S
Molecular Weight295.59 g/mol
Exact Mass293.91
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1cc(Cl)c(Br)s1)C1CCCO1
InChIInChI=1S/C9H8BrClO2S/c10-9-5(11)4-7(14-9)8(12)6-2-1-3-13-6/h4,6H,1-3H2
InChIKeyBFEFYBYTSKFSNR-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
CID 62213512
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanone
CID 80531816
(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824826
(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
CID 130505775
(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
CID 79602229
(4-bromothiophen-3-yl)-(oxolan-2-yl)methanone
CID 79596386
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-2-yl)methanone
CID 43340552
(5-ethylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62213511
1-(5-bromo-4-chlorothiophen-2-yl)butan-1-one
CID 80531756
1-(5-bromo-4-chlorothiophen-2-yl)butane-1,3-dione
CID 156570528
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
4-(oxolane-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 43162006

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone (CID 80531560) is (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone is O=C(c1cc(Cl)c(Br)s1)C1CCCO1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone?
The InChIKey is BFEFYBYTSKFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2S/c10-9-5(11)4-7(14-9)8(12)6-2-1-3-13-6/h4,6H,1-3H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone has a molecular weight of 295.59 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 80531560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).