1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

C9H17F2NO3S — CID 112575663

IUPAC1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)C(F)F)C1
InChIInChI=1S/C9H17F2NO3S/c1-16(14,15)12-4-2-3-7(6-12)5-8(13)9(10)11/h7-9,13H,2-6H2,1H3
InChIKeyZDRVSLUXBQJLBM-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.67
Rot. Bonds4

About 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol

1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol (PubChem CID 112575663) has the molecular formula C9H17F2NO3S and a molecular weight of 257.30 g/mol. Its IUPAC name is 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
PubChem CID112575663
Molecular FormulaC9H17F2NO3S
Molecular Weight257.30 g/mol
Exact Mass257.09
IUPAC Name1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)C(F)F)C1
InChIInChI=1S/C9H17F2NO3S/c1-16(14,15)12-4-2-3-7(6-12)5-8(13)9(10)11/h7-9,13H,2-6H2,1H3
InChIKeyZDRVSLUXBQJLBM-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol (CID 112575663) is 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol is CS(=O)(=O)N1CCCC(CC(O)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
The InChIKey is ZDRVSLUXBQJLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3S/c1-16(14,15)12-4-2-3-7(6-12)5-8(13)9(10)11/h7-9,13H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol?
1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol has a molecular weight of 257.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol is sourced from PubChem (CID 112575663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).