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

C11H13F2NOS — CID 105126185

IUPAC1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H13F2NOS/c12-11(13)3-1-8(2-4-11)10(15)5-9-6-14-7-16-9/h6-8H,1-5H2
InChIKeyOPYNZEBTXWPEFD-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.08
Rot. Bonds3

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

1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 105126185) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID105126185
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H13F2NOS/c12-11(13)3-1-8(2-4-11)10(15)5-9-6-14-7-16-9/h6-8H,1-5H2
InChIKeyOPYNZEBTXWPEFD-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
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)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (CID 105126185) is 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is OPYNZEBTXWPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c12-11(13)3-1-8(2-4-11)10(15)5-9-6-14-7-16-9/h6-8H,1-5H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 245.29 g/mol, XLogP of 3.08, 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-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105126185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).