1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene

C14H11F3OS — CID 116790723

IUPAC1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene
SMILESO=S(CC(F)(F)c1ccccc1)c1ccccc1F
InChIInChI=1S/C14H11F3OS/c15-12-8-4-5-9-13(12)19(18)10-14(16,17)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyYXUYHTNPHYXLBM-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene

1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene (PubChem CID 116790723) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene
PubChem CID116790723
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene
SMILESO=S(CC(F)(F)c1ccccc1)c1ccccc1F
InChIInChI=1S/C14H11F3OS/c15-12-8-4-5-9-13(12)19(18)10-14(16,17)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyYXUYHTNPHYXLBM-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene (CID 116790723) is 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene is O=S(CC(F)(F)c1ccccc1)c1ccccc1F.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene?
The InChIKey is YXUYHTNPHYXLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-12-8-4-5-9-13(12)19(18)10-14(16,17)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene?
1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene has a molecular weight of 284.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)sulfinyl-2-fluorobenzene is sourced from PubChem (CID 116790723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).