1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol

C8H14F3NOS — CID 102671695

IUPAC1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
SMILESCC1SCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-5-6(2-3-14-5)12-4-7(13)8(9,10)11/h5-7,12-13H,2-4H2,1H3
InChIKeyMXSNUWAVUIGTMH-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.39
Rot. Bonds3

About 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol (PubChem CID 102671695) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
PubChem CID102671695
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol
SMILESCC1SCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-5-6(2-3-14-5)12-4-7(13)8(9,10)11/h5-7,12-13H,2-4H2,1H3
InChIKeyMXSNUWAVUIGTMH-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol (CID 102671695) is 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol is CC1SCCC1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
The InChIKey is MXSNUWAVUIGTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-5-6(2-3-14-5)12-4-7(13)8(9,10)11/h5-7,12-13H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methylthiolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 102671695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).