[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine

C10H13F3N2O2 — CID 168955789

IUPAC[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
SMILESCOCC(Oc1cc(CN)ccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-7(5-14)2-3-15-9/h2-4,8H,5-6,14H2,1H3
InChIKeyAZYQVKVZOSXVBY-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.50
Rot. Bonds5

About [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine

[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine (PubChem CID 168955789) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
PubChem CID168955789
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
SMILESCOCC(Oc1cc(CN)ccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-7(5-14)2-3-15-9/h2-4,8H,5-6,14H2,1H3
InChIKeyAZYQVKVZOSXVBY-UHFFFAOYSA-N
XLogP1.50
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine (CID 168955789) is [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine is COCC(Oc1cc(CN)ccn1)C(F)(F)F.
What is the InChIKey of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
The InChIKey is AZYQVKVZOSXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-7(5-14)2-3-15-9/h2-4,8H,5-6,14H2,1H3.
What are the key properties of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine has a molecular weight of 250.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 168955789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).