(2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one

C11H13F3N2O2 — CID 148586069

IUPAC(2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one
SMILESC[C@@H](Oc1ncccc1N)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-7(9(17)4-5-11(12,13)14)18-10-8(15)3-2-6-16-10/h2-3,6-7H,4-5,15H2,1H3/t7-/m1/s1
InChIKeyMZSJHKXLSBNAKO-SSDOTTSWSA-N
MW262.23 g/mol
LogP2.34
Rot. Bonds5

About (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one

(2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one (PubChem CID 148586069) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one
PubChem CID148586069
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name(2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one
SMILESC[C@@H](Oc1ncccc1N)C(=O)CCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-7(9(17)4-5-11(12,13)14)18-10-8(15)3-2-6-16-10/h2-3,6-7H,4-5,15H2,1H3/t7-/m1/s1
InChIKeyMZSJHKXLSBNAKO-SSDOTTSWSA-N
XLogP2.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-methylbutanoate
CID 130341078
2-pentan-3-yloxypyridin-3-amine
CID 45091266
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
CID 117096453
2-[(3-amino-2-pyridinyl)oxy]pyridin-3-amine
CID 71150824
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
(E)-4-[(2-amino-3-pyridinyl)amino]-1,1,1-trifluoro-7-methyloct-3-en-2-one
CID 25148553
2-[(3-methyl-2-pyridinyl)oxy]pyridin-3-amine
CID 901895
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
CID 164741273
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
3-[(3-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61319672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one?
The IUPAC name of (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one (CID 148586069) is (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one.
What is the SMILES notation for (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one?
The canonical SMILES for (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one is C[C@@H](Oc1ncccc1N)C(=O)CCC(F)(F)F.
What is the InChIKey of (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one?
The InChIKey is MZSJHKXLSBNAKO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(9(17)4-5-11(12,13)14)18-10-8(15)3-2-6-16-10/h2-3,6-7H,4-5,15H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one?
(2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one has a molecular weight of 262.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2-pyridinyl)oxy]-6,6,6-trifluorohexan-3-one is sourced from PubChem (CID 148586069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).