2,2-difluoro-1-phenyl-2-phenylsulfanylethanol

C14H12F2OS — CID 15531512

IUPAC2,2-difluoro-1-phenyl-2-phenylsulfanylethanol
SMILESOC(c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C14H12F2OS/c15-14(16,18-12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10,13,17H
InChIKeyKVJCGVLFASKTGJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.11
Rot. Bonds4

About 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol

2,2-difluoro-1-phenyl-2-phenylsulfanylethanol (PubChem CID 15531512) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-2-phenylsulfanylethanol
PubChem CID15531512
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name2,2-difluoro-1-phenyl-2-phenylsulfanylethanol
SMILESOC(c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C14H12F2OS/c15-14(16,18-12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10,13,17H
InChIKeyKVJCGVLFASKTGJ-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol?
The IUPAC name of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol (CID 15531512) is 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol.
What is the SMILES notation for 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol?
The canonical SMILES for 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol is OC(c1ccccc1)C(F)(F)Sc1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol?
The InChIKey is KVJCGVLFASKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c15-14(16,18-12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10,13,17H.
What are the key properties of 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol?
2,2-difluoro-1-phenyl-2-phenylsulfanylethanol has a molecular weight of 266.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-2-phenylsulfanylethanol is sourced from PubChem (CID 15531512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).