4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide

C9H16F3NO2 — CID 66107979

IUPAC4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
SMILESCC(CCO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(3-5-14)6-13-8(15)2-4-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyNMYWZQYZKZRXMF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds6

About 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide

4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide (PubChem CID 66107979) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
PubChem CID66107979
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
SMILESCC(CCO)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7(3-5-14)6-13-8(15)2-4-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15)
InChIKeyNMYWZQYZKZRXMF-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
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-N-(4-hydroxy-2-methylbutyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide (CID 66107979) is 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide is CC(CCO)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide?
The InChIKey is NMYWZQYZKZRXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7(3-5-14)6-13-8(15)2-4-9(10,11)12/h7,14H,2-6H2,1H3,(H,13,15).
What are the key properties of 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide?
4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide is sourced from PubChem (CID 66107979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).