(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone

C10H10BrClO2S — CID 114824826

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2cc(Cl)c(Br)s2)CO1
InChIInChI=1S/C10H10BrClO2S/c1-5-2-6(4-14-5)9(13)8-3-7(12)10(11)15-8/h3,5-6H,2,4H2,1H3
InChIKeyFIDLDQISIDMZRF-UHFFFAOYSA-N
MW309.61 g/mol
LogP3.77
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114824826) has the molecular formula C10H10BrClO2S and a molecular weight of 309.61 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114824826
Molecular FormulaC10H10BrClO2S
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2cc(Cl)c(Br)s2)CO1
InChIInChI=1S/C10H10BrClO2S/c1-5-2-6(4-14-5)9(13)8-3-7(12)10(11)15-8/h3,5-6H,2,4H2,1H3
InChIKeyFIDLDQISIDMZRF-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone
CID 105349156
(2-chloro-4,5-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 107475700
(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone
CID 80531560
(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824828
methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
CID 114824847
(2-bromo-4-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824771
(2-bromo-4,6-dimethoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824821
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
(4-bromo-1-methylpyrazol-5-yl)-(5-methyloxolan-3-yl)methanone
CID 115814808
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694
3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532576

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone (CID 114824826) is (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)c2cc(Cl)c(Br)s2)CO1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is FIDLDQISIDMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2S/c1-5-2-6(4-14-5)9(13)8-3-7(12)10(11)15-8/h3,5-6H,2,4H2,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 309.61 g/mol, XLogP of 3.77, 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)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).