2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide

C7H12F3NO3 — CID 121399046

IUPAC2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide
SMILESO=C(NCCC(CO)CO)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)6(14)11-2-1-5(3-12)4-13/h5,12-13H,1-4H2,(H,11,14)
InChIKeyDCOKHUUIFYFULC-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.34
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide

2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide (PubChem CID 121399046) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide
PubChem CID121399046
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide
SMILESO=C(NCCC(CO)CO)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)6(14)11-2-1-5(3-12)4-13/h5,12-13H,1-4H2,(H,11,14)
InChIKeyDCOKHUUIFYFULC-UHFFFAOYSA-N
XLogP-0.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide (CID 121399046) is 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide is O=C(NCCC(CO)CO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide?
The InChIKey is DCOKHUUIFYFULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c8-7(9,10)6(14)11-2-1-5(3-12)4-13/h5,12-13H,1-4H2,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide?
2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide has a molecular weight of 215.17 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide is sourced from PubChem (CID 121399046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).