[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol

C10H18F3NO3S — CID 83057919

IUPAC[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-15)3-6-14/h9,15H,1-8H2
InChIKeyYSLJMTIRLSQLIG-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds5

About [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol

[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol (PubChem CID 83057919) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol
PubChem CID83057919
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C10H18F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-15)3-6-14/h9,15H,1-8H2
InChIKeyYSLJMTIRLSQLIG-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol (CID 83057919) is [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(CCCC(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is YSLJMTIRLSQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c11-10(12,13)4-1-7-18(16,17)14-5-2-9(8-15)3-6-14/h9,15H,1-8H2.
What are the key properties of [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol?
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 83057919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).