(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide

C11H13F3N2O3 — CID 67193753

IUPAC(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide
SMILESNC(=O)C[C@H](CO)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)6-19-8-1-2-9(16-4-8)7(5-17)3-10(15)18/h1-2,4,7,17H,3,5-6H2,(H2,15,18)/t7-/m1/s1
InChIKeyBCVMLLXCQBJVQP-SSDOTTSWSA-N
MW278.23 g/mol
LogP0.97
Rot. Bonds6

About (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide

(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide (PubChem CID 67193753) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide
PubChem CID67193753
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide
SMILESNC(=O)C[C@H](CO)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)6-19-8-1-2-9(16-4-8)7(5-17)3-10(15)18/h1-2,4,7,17H,3,5-6H2,(H2,15,18)/t7-/m1/s1
InChIKeyBCVMLLXCQBJVQP-SSDOTTSWSA-N
XLogP0.97
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide?
The IUPAC name of (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide (CID 67193753) is (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide.
What is the SMILES notation for (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide?
The canonical SMILES for (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide is NC(=O)C[C@H](CO)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide?
The InChIKey is BCVMLLXCQBJVQP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)6-19-8-1-2-9(16-4-8)7(5-17)3-10(15)18/h1-2,4,7,17H,3,5-6H2,(H2,15,18)/t7-/m1/s1.
What are the key properties of (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide?
(3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide has a molecular weight of 278.23 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-hydroxy-3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]butanamide is sourced from PubChem (CID 67193753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).