(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide

C9H15F4NO3 — CID 102357334

IUPAC(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCON(C)C(=O)[C@@](F)([C@@H](O)C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F4NO3/c1-5(2)6(15)8(10,9(11,12)13)7(16)14(3)17-4/h5-6,15H,1-4H3/t6-,8-/m0/s1
InChIKeyJWZNQOWKTKTJTP-XPUUQOCRSA-N
MW261.21 g/mol
LogP1.29
Rot. Bonds4

About (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide

(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide (PubChem CID 102357334) has the molecular formula C9H15F4NO3 and a molecular weight of 261.21 g/mol. Its IUPAC name is (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide
PubChem CID102357334
Molecular FormulaC9H15F4NO3
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCON(C)C(=O)[C@@](F)([C@@H](O)C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F4NO3/c1-5(2)6(15)8(10,9(11,12)13)7(16)14(3)17-4/h5-6,15H,1-4H3/t6-,8-/m0/s1
InChIKeyJWZNQOWKTKTJTP-XPUUQOCRSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.29
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 (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide (CID 102357334) is (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide is CON(C)C(=O)[C@@](F)([C@@H](O)C(C)C)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide?
The InChIKey is JWZNQOWKTKTJTP-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H15F4NO3/c1-5(2)6(15)8(10,9(11,12)13)7(16)14(3)17-4/h5-6,15H,1-4H3/t6-,8-/m0/s1.
What are the key properties of (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide?
(2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide has a molecular weight of 261.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4-dimethyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 102357334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).