2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol

C10H9F6NOS2 — CID 139991470

IUPAC2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol
SMILESNC(CO)c1cc(SC(F)(F)F)cc(SC(F)(F)F)c1
InChIInChI=1S/C10H9F6NOS2/c11-9(12,13)19-6-1-5(8(17)4-18)2-7(3-6)20-10(14,15)16/h1-3,8,18H,4,17H2
InChIKeyFXZREAJQSRYHDW-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.90
Rot. Bonds4

About 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol

2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 139991470) has the molecular formula C10H9F6NOS2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID139991470
Molecular FormulaC10H9F6NOS2
Molecular Weight337.31 g/mol
Exact Mass337.00
IUPAC Name2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol
SMILESNC(CO)c1cc(SC(F)(F)F)cc(SC(F)(F)F)c1
InChIInChI=1S/C10H9F6NOS2/c11-9(12,13)19-6-1-5(8(17)4-18)2-7(3-6)20-10(14,15)16/h1-3,8,18H,4,17H2
InChIKeyFXZREAJQSRYHDW-UHFFFAOYSA-N
XLogP3.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol (CID 139991470) is 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol is NC(CO)c1cc(SC(F)(F)F)cc(SC(F)(F)F)c1.
What is the InChIKey of 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is FXZREAJQSRYHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NOS2/c11-9(12,13)19-6-1-5(8(17)4-18)2-7(3-6)20-10(14,15)16/h1-3,8,18H,4,17H2.
What are the key properties of 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol?
2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 337.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3,5-bis(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 139991470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).