(2R)-4,4,4-trifluoro-2-methylbutanamide

C5H8F3NO — CID 71428068

IUPAC(2R)-4,4,4-trifluoro-2-methylbutanamide
SMILESC[C@H](CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H8F3NO/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H2,9,10)/t3-/m1/s1
InChIKeyCSVKEFBFKJBWND-GSVOUGTGSA-N
MW155.12 g/mol
LogP1.06
Rot. Bonds2

About (2R)-4,4,4-trifluoro-2-methylbutanamide

(2R)-4,4,4-trifluoro-2-methylbutanamide (PubChem CID 71428068) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-methylbutanamide
PubChem CID71428068
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name(2R)-4,4,4-trifluoro-2-methylbutanamide
SMILESC[C@H](CC(F)(F)F)C(N)=O
InChIInChI=1S/C5H8F3NO/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H2,9,10)/t3-/m1/s1
InChIKeyCSVKEFBFKJBWND-GSVOUGTGSA-N
XLogP1.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-methylbutanamide?
The IUPAC name of (2R)-4,4,4-trifluoro-2-methylbutanamide (CID 71428068) is (2R)-4,4,4-trifluoro-2-methylbutanamide.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-methylbutanamide?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-methylbutanamide is C[C@H](CC(F)(F)F)C(N)=O.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-methylbutanamide?
The InChIKey is CSVKEFBFKJBWND-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-3(4(9)10)2-5(6,7)8/h3H,2H2,1H3,(H2,9,10)/t3-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-methylbutanamide?
(2R)-4,4,4-trifluoro-2-methylbutanamide has a molecular weight of 155.12 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-methylbutanamide is sourced from PubChem (CID 71428068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).