2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine

C18H15F4NO2S — CID 22917249

IUPAC2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(C2=C(c3cnc(F)c(C(F)(F)F)c3)CCC2)cc1
InChIInChI=1S/C18H15F4NO2S/c1-26(24,25)13-7-5-11(6-8-13)14-3-2-4-15(14)12-9-16(18(20,21)22)17(19)23-10-12/h5-10H,2-4H2,1H3
InChIKeyKFUFLWCLFYNEBF-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.74
Rot. Bonds3

About 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine

2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 22917249) has the molecular formula C18H15F4NO2S and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID22917249
Molecular FormulaC18H15F4NO2S
Molecular Weight385.38 g/mol
Exact Mass385.08
IUPAC Name2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(C2=C(c3cnc(F)c(C(F)(F)F)c3)CCC2)cc1
InChIInChI=1S/C18H15F4NO2S/c1-26(24,25)13-7-5-11(6-8-13)14-3-2-4-15(14)12-9-16(18(20,21)22)17(19)23-10-12/h5-10H,2-4H2,1H3
InChIKeyKFUFLWCLFYNEBF-UHFFFAOYSA-N
XLogP4.74
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
2-(5-(4-Methanesulphonyl-phenyl)-6-fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 71449747
2-[6-Fluoro-5-[4-(trifluoromethylsulfonyl)phenyl]-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 71462289
Pyridinium, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-, 4-methylbenzenesulfonate (1:1)
CID 112728
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
1-{2-[(4-methylphenyl)sulfonyl]ethyl}-4-(1H-pyrrol-1-yl)piperidine
CID 2822484
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine (CID 22917249) is 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccc(C2=C(c3cnc(F)c(C(F)(F)F)c3)CCC2)cc1.
What is the InChIKey of 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is KFUFLWCLFYNEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2S/c1-26(24,25)13-7-5-11(6-8-13)14-3-2-4-15(14)12-9-16(18(20,21)22)17(19)23-10-12/h5-10H,2-4H2,1H3.
What are the key properties of 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine?
2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 385.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 22917249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).