4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol

C9H11F2NOS — CID 164659229

IUPAC4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
SMILESOC1(c2cncs2)CCC(F)(F)CC1
InChIInChI=1S/C9H11F2NOS/c10-9(11)3-1-8(13,2-4-9)7-5-12-6-14-7/h5-6,13H,1-4H2
InChIKeyWXSMIISGUUXARS-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.54
Rot. Bonds1

About 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol

4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol (PubChem CID 164659229) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
PubChem CID164659229
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol
SMILESOC1(c2cncs2)CCC(F)(F)CC1
InChIInChI=1S/C9H11F2NOS/c10-9(11)3-1-8(13,2-4-9)7-5-12-6-14-7/h5-6,13H,1-4H2
InChIKeyWXSMIISGUUXARS-UHFFFAOYSA-N
XLogP2.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Amino-1,3-thiazol-5-yl)cyclohexan-1-ol
CID 75481407
1,1,1-Trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
CID 58973043
1,1,1-Trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
CID 71052761
1,1,1-Trifluoro-2-[2-(2-methylpropylsulfanyl)-1,3-thiazol-5-yl]butan-2-ol
CID 71167285
2-(2-Ethylsulfanyl-1,3-thiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 71168196
(2R)-1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103127
1,1,1-Trifluoro-3,3-dimethyl-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103136
1,1,1-Trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103138
Ethane;1,1,1-trifluoro-2-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
CID 145510803
Ethane;2-(2-ethyl-1,3-thiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 145510895
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-ol
CID 80477473
1-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
CID 84778358

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol (CID 164659229) is 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol is OC1(c2cncs2)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
The InChIKey is WXSMIISGUUXARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c10-9(11)3-1-8(13,2-4-9)7-5-12-6-14-7/h5-6,13H,1-4H2.
What are the key properties of 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol?
4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol has a molecular weight of 219.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1,3-thiazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 164659229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).