2,2-difluoro-1-phenyl-2-phenylsulfanylethanone

C14H10F2OS — CID 11149728

IUPAC2,2-difluoro-1-phenyl-2-phenylsulfanylethanone
SMILESO=C(c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C14H10F2OS/c15-14(16,18-12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H
InChIKeyUXSRWLGDHFRFTL-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.25
Rot. Bonds4

About 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone

2,2-difluoro-1-phenyl-2-phenylsulfanylethanone (PubChem CID 11149728) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-2-phenylsulfanylethanone
PubChem CID11149728
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name2,2-difluoro-1-phenyl-2-phenylsulfanylethanone
SMILESO=C(c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C14H10F2OS/c15-14(16,18-12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H
InChIKeyUXSRWLGDHFRFTL-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone (CID 11149728) is 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone is O=C(c1ccccc1)C(F)(F)Sc1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone?
The InChIKey is UXSRWLGDHFRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c15-14(16,18-12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone?
2,2-difluoro-1-phenyl-2-phenylsulfanylethanone has a molecular weight of 264.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 11149728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).