(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide

C13H15F4NO3 — CID 23237247

IUPAC(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@](F)([C@@H](O)c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C13H15F4NO3/c1-8-4-6-9(7-5-8)10(19)12(14,13(15,16)17)11(20)18(2)21-3/h4-7,10,19H,1-3H3/t10-,12+/m0/s1
InChIKeyWDUVMYKVPKPXMB-CMPLNLGQSA-N
MW309.26 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide

(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide (PubChem CID 23237247) has the molecular formula C13H15F4NO3 and a molecular weight of 309.26 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide
PubChem CID23237247
Molecular FormulaC13H15F4NO3
Molecular Weight309.26 g/mol
Exact Mass309.10
IUPAC Name(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@](F)([C@@H](O)c1ccc(C)cc1)C(F)(F)F
InChIInChI=1S/C13H15F4NO3/c1-8-4-6-9(7-5-8)10(19)12(14,13(15,16)17)11(20)18(2)21-3/h4-7,10,19H,1-3H3/t10-,12+/m0/s1
InChIKeyWDUVMYKVPKPXMB-CMPLNLGQSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide (CID 23237247) is (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide is CON(C)C(=O)[C@](F)([C@@H](O)c1ccc(C)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide?
The InChIKey is WDUVMYKVPKPXMB-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H15F4NO3/c1-8-4-6-9(7-5-8)10(19)12(14,13(15,16)17)11(20)18(2)21-3/h4-7,10,19H,1-3H3/t10-,12+/m0/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide?
(2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide has a molecular weight of 309.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-2-[(S)-hydroxy-(4-methylphenyl)methyl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 23237247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).