2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide

C8H12F3NO2 — CID 58018207

IUPAC2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide
SMILESCC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H12F3NO2/c1-4(2)6(5(3)13)12-7(14)8(9,10)11/h4,6H,1-3H3,(H,12,14)/t6-/m0/s1
InChIKeyUMKVZSHSIZJQPC-LURJTMIESA-N
MW211.18 g/mol
LogP1.28
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide

2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide (PubChem CID 58018207) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide
PubChem CID58018207
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide
SMILESCC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C8H12F3NO2/c1-4(2)6(5(3)13)12-7(14)8(9,10)11/h4,6H,1-3H3,(H,12,14)/t6-/m0/s1
InChIKeyUMKVZSHSIZJQPC-LURJTMIESA-N
XLogP1.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide (CID 58018207) is 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide is CC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide?
The InChIKey is UMKVZSHSIZJQPC-LURJTMIESA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-4(2)6(5(3)13)12-7(14)8(9,10)11/h4,6H,1-3H3,(H,12,14)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide is sourced from PubChem (CID 58018207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).