2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol

C15H15F2NOS — CID 18786423

IUPAC2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol
SMILESNC(CO)c1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C15H15F2NOS/c16-15(17)20-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(18)9-19/h1-8,14-15,19H,9,18H2
InChIKeyGRXBNZSSJUHOER-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.66
Rot. Bonds5

About 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol

2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol (PubChem CID 18786423) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol
PubChem CID18786423
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol
SMILESNC(CO)c1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C15H15F2NOS/c16-15(17)20-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(18)9-19/h1-8,14-15,19H,9,18H2
InChIKeyGRXBNZSSJUHOER-UHFFFAOYSA-N
XLogP3.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol?
The IUPAC name of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol (CID 18786423) is 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol?
The canonical SMILES for 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol is NC(CO)c1ccc(-c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol?
The InChIKey is GRXBNZSSJUHOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c16-15(17)20-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(18)9-19/h1-8,14-15,19H,9,18H2.
What are the key properties of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol?
2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol has a molecular weight of 295.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 18786423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).