(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C12H15F3N2O3 — CID 164636259

IUPAC(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOC[C@H](CC1OCCO1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)8-1-2-10(16-6-8)17-9(7-18)5-11-19-3-4-20-11/h1-2,6,9,11,18H,3-5,7H2,(H,16,17)/t9-/m0/s1
InChIKeyIUKDLXCFZREDNH-VIFPVBQESA-N
MW292.26 g/mol
LogP1.64
Rot. Bonds5

About (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 164636259) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID164636259
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESOC[C@H](CC1OCCO1)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)8-1-2-10(16-6-8)17-9(7-18)5-11-19-3-4-20-11/h1-2,6,9,11,18H,3-5,7H2,(H,16,17)/t9-/m0/s1
InChIKeyIUKDLXCFZREDNH-VIFPVBQESA-N
XLogP1.64
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 164636259) is (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is OC[C@H](CC1OCCO1)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is IUKDLXCFZREDNH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)8-1-2-10(16-6-8)17-9(7-18)5-11-19-3-4-20-11/h1-2,6,9,11,18H,3-5,7H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 292.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 164636259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).