(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine

C11H12ClF3N2O — CID 125471389

IUPAC(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine
SMILESNC[C@@H](Oc1ncc(C(F)(F)F)cc1Cl)C1CC1
InChIInChI=1S/C11H12ClF3N2O/c12-8-3-7(11(13,14)15)5-17-10(8)18-9(4-16)6-1-2-6/h3,5-6,9H,1-2,4,16H2/t9-/m1/s1
InChIKeyQAKTYZCXZAQNJP-SECBINFHSA-N
MW280.68 g/mol
LogP2.87
Rot. Bonds4

About (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine

(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine (PubChem CID 125471389) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine.

Molecular Properties

Compound Name(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine
PubChem CID125471389
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine
SMILESNC[C@@H](Oc1ncc(C(F)(F)F)cc1Cl)C1CC1
InChIInChI=1S/C11H12ClF3N2O/c12-8-3-7(11(13,14)15)5-17-10(8)18-9(4-16)6-1-2-6/h3,5-6,9H,1-2,4,16H2/t9-/m1/s1
InChIKeyQAKTYZCXZAQNJP-SECBINFHSA-N
XLogP2.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine?
The IUPAC name of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine (CID 125471389) is (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine.
What is the SMILES notation for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine?
The canonical SMILES for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine is NC[C@@H](Oc1ncc(C(F)(F)F)cc1Cl)C1CC1.
What is the InChIKey of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine?
The InChIKey is QAKTYZCXZAQNJP-SECBINFHSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-8-3-7(11(13,14)15)5-17-10(8)18-9(4-16)6-1-2-6/h3,5-6,9H,1-2,4,16H2/t9-/m1/s1.
What are the key properties of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine?
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine has a molecular weight of 280.68 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine is sourced from PubChem (CID 125471389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).