1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol

C11H15F2NOS — CID 105123267

IUPAC1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2NOS/c12-11(13)3-1-8(2-4-11)10(15)5-9-6-14-7-16-9/h6-8,10,15H,1-5H2
InChIKeyFRPKXWWYJUYZST-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.87
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol

1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 105123267) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID105123267
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2NOS/c12-11(13)3-1-8(2-4-11)10(15)5-9-6-14-7-16-9/h6-8,10,15H,1-5H2
InChIKeyFRPKXWWYJUYZST-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol (CID 105123267) is 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is FRPKXWWYJUYZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c12-11(13)3-1-8(2-4-11)10(15)5-9-6-14-7-16-9/h6-8,10,15H,1-5H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 247.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 105123267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).