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

C15H16ClF2NOS — CID 18786426

IUPAC2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C15H15F2NOS.ClH/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;1H
InChIKeyHPLAKNBVCUHERI-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.08
Rot. Bonds5

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

2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride (PubChem CID 18786426) has the molecular formula C15H16ClF2NOS and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride
PubChem CID18786426
Molecular FormulaC15H16ClF2NOS
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(-c2ccc(SC(F)F)cc2)cc1
InChIInChI=1S/C15H15F2NOS.ClH/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;1H
InChIKeyHPLAKNBVCUHERI-UHFFFAOYSA-N
XLogP4.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.08
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;hydrochloride?
The IUPAC name of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride (CID 18786426) is 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride is Cl.NC(CO)c1ccc(-c2ccc(SC(F)F)cc2)cc1.
What is the InChIKey of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride?
The InChIKey is HPLAKNBVCUHERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS.ClH/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;1H.
What are the key properties of 2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride?
2-amino-2-[4-[4-(difluoromethylsulfanyl)phenyl]phenyl]ethanol;hydrochloride has a molecular weight of 331.82 g/mol, XLogP of 4.08, 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;hydrochloride is sourced from PubChem (CID 18786426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).