4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide

C10H18F3NO2 — CID 103946252

IUPAC4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide
SMILESCCC(C)(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-9(2,6-7-15)14-8(16)4-5-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyVOUUMLZMTSALED-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.00
Rot. Bonds6

About 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide

4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide (PubChem CID 103946252) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide
PubChem CID103946252
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide
SMILESCCC(C)(CCO)NC(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-9(2,6-7-15)14-8(16)4-5-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyVOUUMLZMTSALED-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.00
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-(1-hydroxy-3-methylpentan-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide (CID 103946252) is 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide is CCC(C)(CCO)NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide?
The InChIKey is VOUUMLZMTSALED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-9(2,6-7-15)14-8(16)4-5-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide?
4,4,4-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)butanamide has a molecular weight of 241.25 g/mol, XLogP of 2.00, 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-(1-hydroxy-3-methylpentan-3-yl)butanamide is sourced from PubChem (CID 103946252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).