2-(4,4-difluorocyclohexyl)-1,3-thiazole

C9H11F2NS — CID 174915691

IUPAC2-(4,4-difluorocyclohexyl)-1,3-thiazole
SMILESFC1(F)CCC(c2nccs2)CC1
InChIInChI=1S/C9H11F2NS/c10-9(11)3-1-7(2-4-9)8-12-5-6-13-8/h5-7H,1-4H2
InChIKeyAWHLMHICCACYCQ-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.44
Rot. Bonds1

About 2-(4,4-difluorocyclohexyl)-1,3-thiazole

2-(4,4-difluorocyclohexyl)-1,3-thiazole (PubChem CID 174915691) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-1,3-thiazole
PubChem CID174915691
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(4,4-difluorocyclohexyl)-1,3-thiazole
SMILESFC1(F)CCC(c2nccs2)CC1
InChIInChI=1S/C9H11F2NS/c10-9(11)3-1-7(2-4-9)8-12-5-6-13-8/h5-7H,1-4H2
InChIKeyAWHLMHICCACYCQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pentylthiazole
CID 22150015
2-Cyclopentyl-1,3-thiazole
CID 16206151
3-((1,3-Thiazol-2-yl)methyl)piperidine
CID 24262127
5-Bromo-2-cyclohexyl-1,3-thiazole
CID 45787622
7,7,7-Trifluoro-5-(1,3-thiazol-2-yl)heptan-2-one
CID 164670296
2-[Fluoro-(1-fluorocyclohexyl)methyl]-1,3-thiazole
CID 177857006
2-Heptan-3-yl-1,3-thiazole
CID 3023053
2-[3,3-Dimethyl-2-(trifluoromethyl)butyl]-1,3-thiazole
CID 57881403
2-(1-Fluoropentyl)-1,3-thiazole
CID 67086803
2-(5-Fluoropentyl)-1,3-thiazole
CID 67086806
4-Fluoro-4-(thiazol-2-yl)cyclohexanone
CID 67499337
2-[2-(Trifluoromethyl)cyclopropyl]-1,3-thiazole
CID 67774798

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-1,3-thiazole?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-1,3-thiazole (CID 174915691) is 2-(4,4-difluorocyclohexyl)-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-1,3-thiazole is FC1(F)CCC(c2nccs2)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-1,3-thiazole?
The InChIKey is AWHLMHICCACYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c10-9(11)3-1-7(2-4-9)8-12-5-6-13-8/h5-7H,1-4H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-1,3-thiazole?
2-(4,4-difluorocyclohexyl)-1,3-thiazole has a molecular weight of 203.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-1,3-thiazole is sourced from PubChem (CID 174915691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).