2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene

C19H17F3O2S — CID 22917318

IUPAC2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(C(F)F)c3)CCC2)cc1
InChIInChI=1S/C19H17F3O2S/c1-25(23,24)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-18(20)17(11-13)19(21)22/h5-11,19H,2-4H2,1H3
InChIKeyLSHPAOOSNPWESP-UHFFFAOYSA-N
MW366.40 g/mol
LogP5.26
Rot. Bonds4

About 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene

2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (PubChem CID 22917318) has the molecular formula C19H17F3O2S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
PubChem CID22917318
Molecular FormulaC19H17F3O2S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
SMILESCS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(C(F)F)c3)CCC2)cc1
InChIInChI=1S/C19H17F3O2S/c1-25(23,24)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-18(20)17(11-13)19(21)22/h5-11,19H,2-4H2,1H3
InChIKeyLSHPAOOSNPWESP-UHFFFAOYSA-N
XLogP5.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917405
1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917666
1,3,5-trifluoro-2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917374
1,2-dimethyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917478
2-chloro-1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917259
4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 10616776
2-fluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine
CID 22917249
4-[2-[6-chloro-5-(difluoromethyl)-3-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917255
2-chloro-3-methyl-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917313
2-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]pyridine
CID 22917520
2-chloro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-3-(trifluoromethyl)pyridine
CID 22917418
6-(3-chloro-4-fluorophenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene;ethane
CID 142174476

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The IUPAC name of 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene (CID 22917318) is 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(C(F)F)c3)CCC2)cc1.
What is the InChIKey of 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
The InChIKey is LSHPAOOSNPWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O2S/c1-25(23,24)14-8-5-12(6-9-14)15-3-2-4-16(15)13-7-10-18(20)17(11-13)19(21)22/h5-11,19H,2-4H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene?
2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene has a molecular weight of 366.40 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-fluoro-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 22917318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).