4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine

C15H19F4NO3S — CID 11494407

IUPAC4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(c2cccc(S(=O)(=O)C(F)(F)F)c2F)CC1
InChIInChI=1S/C15H19F4NO3S/c1-23-10-9-20-7-5-11(6-8-20)12-3-2-4-13(14(12)16)24(21,22)15(17,18)19/h2-4,11H,5-10H2,1H3
InChIKeyCQENCQGPYJOHJU-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine

4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine (PubChem CID 11494407) has the molecular formula C15H19F4NO3S and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine
PubChem CID11494407
Molecular FormulaC15H19F4NO3S
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCC(c2cccc(S(=O)(=O)C(F)(F)F)c2F)CC1
InChIInChI=1S/C15H19F4NO3S/c1-23-10-9-20-7-5-11(6-8-20)12-3-2-4-13(14(12)16)24(21,22)15(17,18)19/h2-4,11H,5-10H2,1H3
InChIKeyCQENCQGPYJOHJU-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl] trifluoromethanesulfonate
CID 57447969
1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
CID 159917565
4-[2-methyl-3-(trifluoromethylsulfonyl)phenyl]-1-propylpiperidine
CID 11667434
1-[2-chloro-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]ethanone
CID 11609050
[3-(1-ethylpiperidin-4-yl)-2-fluorophenyl] trifluoromethanesulfonate
CID 57447968
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
CID 11702233
1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine
CID 57448053
1-(2-methoxyethyl)-4-(3-methylphenyl)piperidine
CID 163612835
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
4-(3-fluoro-2-methylsulfonylphenyl)-1-propylpiperidine
CID 90975920
[2-fluoro-3-(1-prop-2-enylpiperidin-4-yl)phenyl] [[2-cyano-3-(1-ethylpiperidin-4-yl)phenyl]-[[2-cyano-3-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-[[2-cyano-3-(1-prop-2-enylpiperidin-4-yl)phenyl]-methylsulfonyloxymethyl]sulfonyloxymethyl]sulfonyloxymethyl]sulfonyloxy-[2-cyano-3-(1-propylpiperidin-4-yl)phenyl]methanesulfonate
CID 87847630
[2-fluoro-3-[4-(2-methoxyethyl)piperazin-1-yl]phenyl] methanesulfonate
CID 57447993

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine?
The IUPAC name of 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine (CID 11494407) is 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine is COCCN1CCC(c2cccc(S(=O)(=O)C(F)(F)F)c2F)CC1.
What is the InChIKey of 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine?
The InChIKey is CQENCQGPYJOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO3S/c1-23-10-9-20-7-5-11(6-8-20)12-3-2-4-13(14(12)16)24(21,22)15(17,18)19/h2-4,11H,5-10H2,1H3.
What are the key properties of 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine?
4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine has a molecular weight of 369.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(trifluoromethylsulfonyl)phenyl]-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 11494407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).