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

C12H17F2NOS — CID 105106712

IUPAC1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C12H17F2NOS/c1-8-15-10(7-17-8)6-11(16)9-2-4-12(13,14)5-3-9/h7,9,11,16H,2-6H2,1H3
InChIKeyZGZGSSVEMZTRKM-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.18
Rot. Bonds3

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

1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 105106712) has the molecular formula C12H17F2NOS and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID105106712
Molecular FormulaC12H17F2NOS
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C12H17F2NOS/c1-8-15-10(7-17-8)6-11(16)9-2-4-12(13,14)5-3-9/h7,9,11,16H,2-6H2,1H3
InChIKeyZGZGSSVEMZTRKM-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.18
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-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 105106712) is 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol 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)ethanol?
The InChIKey is ZGZGSSVEMZTRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NOS/c1-8-15-10(7-17-8)6-11(16)9-2-4-12(13,14)5-3-9/h7,9,11,16H,2-6H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 261.34 g/mol, XLogP of 3.18, 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-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 105106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).