2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol

C5H10F3NOS — CID 43753050

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol
SMILESNCC(SCCO)C(F)(F)F
InChIInChI=1S/C5H10F3NOS/c6-5(7,8)4(3-9)11-2-1-10/h4,10H,1-3,9H2
InChIKeyJJEDPIPEKZSYMT-UHFFFAOYSA-N
MW189.20 g/mol
LogP0.60
Rot. Bonds4

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol

2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol (PubChem CID 43753050) has the molecular formula C5H10F3NOS and a molecular weight of 189.20 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol
PubChem CID43753050
Molecular FormulaC5H10F3NOS
Molecular Weight189.20 g/mol
Exact Mass189.04
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol
SMILESNCC(SCCO)C(F)(F)F
InChIInChI=1S/C5H10F3NOS/c6-5(7,8)4(3-9)11-2-1-10/h4,10H,1-3,9H2
InChIKeyJJEDPIPEKZSYMT-UHFFFAOYSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol (CID 43753050) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol is NCC(SCCO)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol?
The InChIKey is JJEDPIPEKZSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NOS/c6-5(7,8)4(3-9)11-2-1-10/h4,10H,1-3,9H2.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol?
2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol has a molecular weight of 189.20 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylethanol is sourced from PubChem (CID 43753050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).