2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol

C9H10F3NOS — CID 77130127

IUPAC2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESNC(CO)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)15-7-3-1-2-6(4-7)8(13)5-14/h1-4,8,14H,5,13H2
InChIKeySGMXMNCVHWLDIP-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.29
Rot. Bonds3

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

2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 77130127) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID77130127
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESNC(CO)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C9H10F3NOS/c10-9(11,12)15-7-3-1-2-6(4-7)8(13)5-14/h1-4,8,14H,5,13H2
InChIKeySGMXMNCVHWLDIP-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol (CID 77130127) is 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol is NC(CO)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is SGMXMNCVHWLDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c10-9(11,12)15-7-3-1-2-6(4-7)8(13)5-14/h1-4,8,14H,5,13H2.
What are the key properties of 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol?
2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 237.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 77130127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).