(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone

C10H10Cl2OS — CID 107000721

IUPAC(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2OS/c1-10(2)4-6(10)8(13)5-3-7(11)14-9(5)12/h3,6H,4H2,1-2H3
InChIKeyRVMXUTHQTWCTFH-UHFFFAOYSA-N
MW249.16 g/mol
LogP4.28
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone

(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000721) has the molecular formula C10H10Cl2OS and a molecular weight of 249.16 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000721
Molecular FormulaC10H10Cl2OS
Molecular Weight249.16 g/mol
Exact Mass247.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2OS/c1-10(2)4-6(10)8(13)5-3-7(11)14-9(5)12/h3,6H,4H2,1-2H3
InChIKeyRVMXUTHQTWCTFH-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone (CID 107000721) is (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is RVMXUTHQTWCTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2OS/c1-10(2)4-6(10)8(13)5-3-7(11)14-9(5)12/h3,6H,4H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone?
(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 249.16 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).