2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C6H10F3NO2 — CID 57208486

IUPAC2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-4(11)5(12)10-3-6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyMRUGNHSZKXSBKQ-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds3

About 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 57208486) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID57208486
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-4(11)5(12)10-3-6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyMRUGNHSZKXSBKQ-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 57208486) is 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is CCC(O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is MRUGNHSZKXSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-4(11)5(12)10-3-6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 185.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 57208486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).