[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine

C9H11F3N2O — CID 66275408

IUPAC[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine
SMILESCC(Oc1cccc(CN)n1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6(9(10,11)12)15-8-4-2-3-7(5-13)14-8/h2-4,6H,5,13H2,1H3
InChIKeyDFEOEXKDUYHCDO-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.87
Rot. Bonds3

About [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine

[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine (PubChem CID 66275408) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine
PubChem CID66275408
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine
SMILESCC(Oc1cccc(CN)n1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6(9(10,11)12)15-8-4-2-3-7(5-13)14-8/h2-4,6H,5,13H2,1H3
InChIKeyDFEOEXKDUYHCDO-UHFFFAOYSA-N
XLogP1.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087
[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
CID 156808519
(2R)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 99983296
6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
CID 79239982
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
CID 66274832
[6-(3-methylbutyl)-2-pyridinyl]methanamine
CID 54541845
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]ethanamine
CID 66467965
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
1-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethanamine
CID 66274601
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615

Frequently Asked Questions

What is the IUPAC name of [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine (CID 66275408) is [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine is CC(Oc1cccc(CN)n1)C(F)(F)F.
What is the InChIKey of [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine?
The InChIKey is DFEOEXKDUYHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(9(10,11)12)15-8-4-2-3-7(5-13)14-8/h2-4,6H,5,13H2,1H3.
What are the key properties of [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine?
[6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine has a molecular weight of 220.19 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 66275408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).