1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine

C12H13F4NO2S — CID 10566988

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCCCC1
InChIInChI=1S/C12H13F4NO2S/c13-10-5-4-9(12(14,15)16)8-11(10)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChIKeyGPVAKQNBUQOZHY-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.02
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine

1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 10566988) has the molecular formula C12H13F4NO2S and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID10566988
Molecular FormulaC12H13F4NO2S
Molecular Weight311.30 g/mol
Exact Mass311.06
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCCCC1
InChIInChI=1S/C12H13F4NO2S/c13-10-5-4-9(12(14,15)16)8-11(10)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChIKeyGPVAKQNBUQOZHY-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-4-pentylsulfonylpiperazine
CID 86937189
3-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989580
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982241
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
CID 71106524
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 24622280
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
1-(2,5-difluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 27817251
2-fluoro-5-(trifluoromethyl)benzenesulfonic acid;hydrochloride
CID 174972192
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 10566988) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCCCC1.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is GPVAKQNBUQOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2S/c13-10-5-4-9(12(14,15)16)8-11(10)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 311.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 10566988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).