1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane

C10H21F2NO3S — CID 144561154

IUPAC1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane
SMILESCC.COC1CCN(S(=O)(=O)C(C)(F)F)CC1
InChIInChI=1S/C8H15F2NO3S.C2H6/c1-8(9,10)15(12,13)11-5-3-7(14-2)4-6-11;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyQAVMPLKKKWGWJW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.07
Rot. Bonds3

About 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane

1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane (PubChem CID 144561154) has the molecular formula C10H21F2NO3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane.

Molecular Properties

Compound Name1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane
PubChem CID144561154
Molecular FormulaC10H21F2NO3S
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane
SMILESCC.COC1CCN(S(=O)(=O)C(C)(F)F)CC1
InChIInChI=1S/C8H15F2NO3S.C2H6/c1-8(9,10)15(12,13)11-5-3-7(14-2)4-6-11;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyQAVMPLKKKWGWJW-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Methylpiperidin-4-yl) trifluoromethanesulfonate
CID 59121141
1-[2-(1,1,2,2-Tetrafluoropropoxy)ethylsulfonyl]piperidine
CID 88916711
Ethane;(1-methylpiperidin-4-yl) trifluoromethanesulfonate
CID 90699789
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl] methanesulfonate
CID 118540616
Ethane;(1-methylpiperidin-4-yl) trifluoromethanesulfonate
CID 123630195
[1-(2,2-Difluoroethyl)piperidin-4-yl] methanesulfonate
CID 157042372
1,1-Difluoro-2-(1-methylpiperidin-4-yl)oxyethanesulfonic acid
CID 170444353
1,1-Difluoro-2-(1-methylpiperidin-4-yl)oxyethanesulfonate
CID 170533035
1,1,2,2-Tetrafluoro-2-(1-methylpiperidin-4-yl)oxyethanesulfonic acid
CID 172525648
1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-ol
CID 83059562
4-(2-Bromoethoxy)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83059594
1-Ethylpiperidin-4-yl trifluoromethanesulfonate
CID 99110164

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane?
The IUPAC name of 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane (CID 144561154) is 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane.
What is the SMILES notation for 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane?
The canonical SMILES for 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane is CC.COC1CCN(S(=O)(=O)C(C)(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane?
The InChIKey is QAVMPLKKKWGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S.C2H6/c1-8(9,10)15(12,13)11-5-3-7(14-2)4-6-11;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane?
1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane has a molecular weight of 273.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethylsulfonyl)-4-methoxypiperidine;ethane is sourced from PubChem (CID 144561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).