4,4,4-trifluoro-3-hydroxy-N-methylbutanamide

C5H8F3NO2 — CID 162614642

IUPAC4,4,4-trifluoro-3-hydroxy-N-methylbutanamide
SMILESCNC(=O)CC(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9-4(11)2-3(10)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)
InChIKeySNOJZBFOWSMCAN-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

About 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide

4,4,4-trifluoro-3-hydroxy-N-methylbutanamide (PubChem CID 162614642) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-methylbutanamide
PubChem CID162614642
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-methylbutanamide
SMILESCNC(=O)CC(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9-4(11)2-3(10)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)
InChIKeySNOJZBFOWSMCAN-UHFFFAOYSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide (CID 162614642) is 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide is CNC(=O)CC(O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide?
The InChIKey is SNOJZBFOWSMCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9-4(11)2-3(10)5(6,7)8/h3,10H,2H2,1H3,(H,9,11).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide?
4,4,4-trifluoro-3-hydroxy-N-methylbutanamide has a molecular weight of 171.12 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-methylbutanamide is sourced from PubChem (CID 162614642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).