N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide

C6H10F3NO2 — CID 122468682

IUPACN-(2,2,2-trifluoro-1-hydroxyethyl)butanamide
SMILESCCCC(=O)NC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3-4(11)10-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11)
InChIKeyOPQSYBWCCYCVJB-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.78
Rot. Bonds3

About N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide

N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide (PubChem CID 122468682) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoro-1-hydroxyethyl)butanamide
PubChem CID122468682
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-(2,2,2-trifluoro-1-hydroxyethyl)butanamide
SMILESCCCC(=O)NC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3-4(11)10-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11)
InChIKeyOPQSYBWCCYCVJB-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide?
The IUPAC name of N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide (CID 122468682) is N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide.
What is the SMILES notation for N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide?
The canonical SMILES for N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide is CCCC(=O)NC(O)C(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide?
The InChIKey is OPQSYBWCCYCVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-3-4(11)10-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11).
What are the key properties of N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide?
N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide has a molecular weight of 185.14 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide is sourced from PubChem (CID 122468682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).