[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol

C11H13F3N2O2 — CID 133399075

IUPAC[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2cc(C(F)(F)F)ccn2)COC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-1-2-15-9(3-8)16-4-10(5-17)6-18-7-10/h1-3,17H,4-7H2,(H,15,16)
InChIKeyUCGHDTJZNLZWLN-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.52
Rot. Bonds4

About [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol

[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 133399075) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol
PubChem CID133399075
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2cc(C(F)(F)F)ccn2)COC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)8-1-2-15-9(3-8)16-4-10(5-17)6-18-7-10/h1-3,17H,4-7H2,(H,15,16)
InChIKeyUCGHDTJZNLZWLN-UHFFFAOYSA-N
XLogP1.52
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol (CID 133399075) is [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol is OCC1(CNc2cc(C(F)(F)F)ccn2)COC1.
What is the InChIKey of [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is UCGHDTJZNLZWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)8-1-2-15-9(3-8)16-4-10(5-17)6-18-7-10/h1-3,17H,4-7H2,(H,15,16).
What are the key properties of [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol?
[3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 262.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 133399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).