1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H15F2NOS — CID 105108771

IUPAC1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C12H15F2NOS/c1-8-15-10(7-17-8)6-11(16)9-2-4-12(13,14)5-3-9/h7,9H,2-6H2,1H3
InChIKeyFEKOCAGTAMKZAG-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.39
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 105108771) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID105108771
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C12H15F2NOS/c1-8-15-10(7-17-8)6-11(16)9-2-4-12(13,14)5-3-9/h7,9H,2-6H2,1H3
InChIKeyFEKOCAGTAMKZAG-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
3-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]cyclopentan-1-one
CID 153570879
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
(2-Bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 166045451
2,4-Bis[2-(trifluoromethyl)-1,3-thiazol-4-yl]pentan-3-one
CID 176009187
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 64565724
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 65864164
2-(2-Methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105108745
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105108748
2-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105118367
2-(4-Methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105120649
1-(4,4-Difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120670

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 105108771) is 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)C2CCC(F)(F)CC2)cs1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is FEKOCAGTAMKZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8-15-10(7-17-8)6-11(16)9-2-4-12(13,14)5-3-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 259.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 105108771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).