1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C14H25F2NO3S — CID 105113365

IUPAC1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H25F2NO3S/c1-21(19,20)17-8-2-3-11(10-17)9-13(18)12-4-6-14(15,16)7-5-12/h11-13,18H,2-10H2,1H3
InChIKeyYLIRZDVIMXSIMR-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.23
Rot. Bonds4

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

1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 105113365) has the molecular formula C14H25F2NO3S and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID105113365
Molecular FormulaC14H25F2NO3S
Molecular Weight325.42 g/mol
Exact Mass325.15
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H25F2NO3S/c1-21(19,20)17-8-2-3-11(10-17)9-13(18)12-4-6-14(15,16)7-5-12/h11-13,18H,2-10H2,1H3
InChIKeyYLIRZDVIMXSIMR-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.23
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-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 105113365) is 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is YLIRZDVIMXSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3S/c1-21(19,20)17-8-2-3-11(10-17)9-13(18)12-4-6-14(15,16)7-5-12/h11-13,18H,2-10H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 325.42 g/mol, XLogP of 2.23, 4 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-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 105113365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).