4,4,4-trifluoro-3-(hydroxymethyl)butanamide

C5H8F3NO2 — CID 89116568

IUPAC4,4,4-trifluoro-3-(hydroxymethyl)butanamide
SMILESNC(=O)CC(CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)3(2-10)1-4(9)11/h3,10H,1-2H2,(H2,9,11)
InChIKeyNDNBONHRBWMHCO-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.03
Rot. Bonds3

About 4,4,4-trifluoro-3-(hydroxymethyl)butanamide

4,4,4-trifluoro-3-(hydroxymethyl)butanamide (PubChem CID 89116568) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(hydroxymethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(hydroxymethyl)butanamide
PubChem CID89116568
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name4,4,4-trifluoro-3-(hydroxymethyl)butanamide
SMILESNC(=O)CC(CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)3(2-10)1-4(9)11/h3,10H,1-2H2,(H2,9,11)
InChIKeyNDNBONHRBWMHCO-UHFFFAOYSA-N
XLogP0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.03
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-(hydroxymethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-(hydroxymethyl)butanamide (CID 89116568) is 4,4,4-trifluoro-3-(hydroxymethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-(hydroxymethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-(hydroxymethyl)butanamide is NC(=O)CC(CO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(hydroxymethyl)butanamide?
The InChIKey is NDNBONHRBWMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)3(2-10)1-4(9)11/h3,10H,1-2H2,(H2,9,11).
What are the key properties of 4,4,4-trifluoro-3-(hydroxymethyl)butanamide?
4,4,4-trifluoro-3-(hydroxymethyl)butanamide has a molecular weight of 171.12 g/mol, XLogP of 0.03, 3 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-(hydroxymethyl)butanamide is sourced from PubChem (CID 89116568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).