(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone

C12H14Cl2OS — CID 106826585

IUPAC(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2cc(Cl)sc2Cl)CCCCC1
InChIInChI=1S/C12H14Cl2OS/c1-12(5-3-2-4-6-12)10(15)8-7-9(13)16-11(8)14/h7H,2-6H2,1H3
InChIKeyWHJOJSXJVYFOLO-UHFFFAOYSA-N
MW277.22 g/mol
LogP5.21
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone

(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone (PubChem CID 106826585) has the molecular formula C12H14Cl2OS and a molecular weight of 277.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone
PubChem CID106826585
Molecular FormulaC12H14Cl2OS
Molecular Weight277.22 g/mol
Exact Mass276.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2cc(Cl)sc2Cl)CCCCC1
InChIInChI=1S/C12H14Cl2OS/c1-12(5-3-2-4-6-12)10(15)8-7-9(13)16-11(8)14/h7H,2-6H2,1H3
InChIKeyWHJOJSXJVYFOLO-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.22
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(1-methylcyclohexyl)methanone
CID 106826690
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
(5-bromo-2-methylthiophen-3-yl)-(1-methylcyclohexyl)methanone
CID 106826637
(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107000721
(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone
CID 55129258
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanone
CID 105398359
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone (CID 106826585) is (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone is CC1(C(=O)c2cc(Cl)sc2Cl)CCCCC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is WHJOJSXJVYFOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2OS/c1-12(5-3-2-4-6-12)10(15)8-7-9(13)16-11(8)14/h7H,2-6H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone?
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 277.22 g/mol, XLogP of 5.21, 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)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106826585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).