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

2-chloro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine
CID 22917418
3-(difluoromethyl)-2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917405
2-chloro-3-methyl-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917313
1,3,5-trifluoro-2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917374
2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917318
1,2-dimethyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917478
1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917666
1-fluoro-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-2-(trifluoromethyl)benzene
CID 23370670
2-methyl-4-methylsulfonyl-1-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzene
CID 159398618
2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917520
4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917706
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline
CID 171391113

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).