(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

C12H23F3N2O3 — CID 71858498

IUPAC(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESOC[C@@H](O)CN(CCN1CCOCC1)CCC(F)(F)F
InChIInChI=1S/C12H23F3N2O3/c13-12(14,15)1-2-17(9-11(19)10-18)4-3-16-5-7-20-8-6-16/h11,18-19H,1-10H2/t11-/m0/s1
InChIKeyGORPNFQXFZAFCP-NSHDSACASA-N
MW300.32 g/mol
LogP-0.07
Rot. Bonds8

About (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (PubChem CID 71858498) has the molecular formula C12H23F3N2O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
PubChem CID71858498
Molecular FormulaC12H23F3N2O3
Molecular Weight300.32 g/mol
Exact Mass300.17
IUPAC Name(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESOC[C@@H](O)CN(CCN1CCOCC1)CCC(F)(F)F
InChIInChI=1S/C12H23F3N2O3/c13-12(14,15)1-2-17(9-11(19)10-18)4-3-16-5-7-20-8-6-16/h11,18-19H,1-10H2/t11-/m0/s1
InChIKeyGORPNFQXFZAFCP-NSHDSACASA-N
XLogP-0.07
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (CID 71858498) is (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is OC[C@@H](O)CN(CCN1CCOCC1)CCC(F)(F)F.
What is the InChIKey of (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The InChIKey is GORPNFQXFZAFCP-NSHDSACASA-N. The full InChI is InChI=1S/C12H23F3N2O3/c13-12(14,15)1-2-17(9-11(19)10-18)4-3-16-5-7-20-8-6-16/h11,18-19H,1-10H2/t11-/m0/s1.
What are the key properties of (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol has a molecular weight of 300.32 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is sourced from PubChem (CID 71858498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).