(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

C8H16F3NO2 — CID 111976154

IUPAC(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESCCN(CCC(F)(F)F)C[C@H](O)CO
InChIInChI=1S/C8H16F3NO2/c1-2-12(5-7(14)6-13)4-3-8(9,10)11/h7,13-14H,2-6H2,1H3/t7-/m0/s1
InChIKeyGIUTVVQRKCRPOZ-ZETCQYMHSA-N
MW215.21 g/mol
LogP0.61
Rot. Bonds6

About (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (PubChem CID 111976154) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
PubChem CID111976154
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESCCN(CCC(F)(F)F)C[C@H](O)CO
InChIInChI=1S/C8H16F3NO2/c1-2-12(5-7(14)6-13)4-3-8(9,10)11/h7,13-14H,2-6H2,1H3/t7-/m0/s1
InChIKeyGIUTVVQRKCRPOZ-ZETCQYMHSA-N
XLogP0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (CID 111976154) is (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is CCN(CCC(F)(F)F)C[C@H](O)CO.
What is the InChIKey of (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The InChIKey is GIUTVVQRKCRPOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-2-12(5-7(14)6-13)4-3-8(9,10)11/h7,13-14H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
(2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol has a molecular weight of 215.21 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[ethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is sourced from PubChem (CID 111976154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).