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

C10H17F4NO3 — CID 102357335

IUPAC(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide
SMILESCON(C)C(=O)[C@@](F)([C@H](O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H17F4NO3/c1-8(2,3)6(16)9(11,10(12,13)14)7(17)15(4)18-5/h6,16H,1-5H3/t6-,9+/m1/s1
InChIKeySZEXLZBAXFOXSR-MUWHJKNJSA-N
MW275.24 g/mol
LogP1.68
Rot. Bonds3

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

(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide (PubChem CID 102357335) has the molecular formula C10H17F4NO3 and a molecular weight of 275.24 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide
PubChem CID102357335
Molecular FormulaC10H17F4NO3
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Name(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide
SMILESCON(C)C(=O)[C@@](F)([C@H](O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H17F4NO3/c1-8(2,3)6(16)9(11,10(12,13)14)7(17)15(4)18-5/h6,16H,1-5H3/t6-,9+/m1/s1
InChIKeySZEXLZBAXFOXSR-MUWHJKNJSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.68
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,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide (CID 102357335) is (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide is CON(C)C(=O)[C@@](F)([C@H](O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide?
The InChIKey is SZEXLZBAXFOXSR-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H17F4NO3/c1-8(2,3)6(16)9(11,10(12,13)14)7(17)15(4)18-5/h6,16H,1-5H3/t6-,9+/m1/s1.
What are the key properties of (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide?
(2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide has a molecular weight of 275.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 102357335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).