2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide

C7H10F3NO5 — CID 154291457

IUPAC2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5/c8-7(9,10)6(16)11-1-3(13)5(15)4(14)2-12/h2-5,13-15H,1H2,(H,11,16)/t3-,4+,5+/m1/s1
InChIKeyLWCKIBFLBDJEIM-WISUUJSJSA-N
MW245.15 g/mol
LogP-2.05
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide

2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide (PubChem CID 154291457) has the molecular formula C7H10F3NO5 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide
PubChem CID154291457
Molecular FormulaC7H10F3NO5
Molecular Weight245.15 g/mol
Exact Mass245.05
IUPAC Name2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5/c8-7(9,10)6(16)11-1-3(13)5(15)4(14)2-12/h2-5,13-15H,1H2,(H,11,16)/t3-,4+,5+/m1/s1
InChIKeyLWCKIBFLBDJEIM-WISUUJSJSA-N
XLogP-2.05
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide (CID 154291457) is 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide is O=C[C@H](O)[C@@H](O)[C@H](O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide?
The InChIKey is LWCKIBFLBDJEIM-WISUUJSJSA-N. The full InChI is InChI=1S/C7H10F3NO5/c8-7(9,10)6(16)11-1-3(13)5(15)4(14)2-12/h2-5,13-15H,1H2,(H,11,16)/t3-,4+,5+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide?
2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide has a molecular weight of 245.15 g/mol, XLogP of -2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide is sourced from PubChem (CID 154291457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).