2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide

C8H14F3NO — CID 14598683

IUPAC2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(2)4-6(3)12-7(13)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyPHDUKWJELRRLMF-LURJTMIESA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide (PubChem CID 14598683) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
PubChem CID14598683
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(2)4-6(3)12-7(13)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKeyPHDUKWJELRRLMF-LURJTMIESA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide (CID 14598683) is 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide is CC(C)C[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
The InChIKey is PHDUKWJELRRLMF-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(2)4-6(3)12-7(13)8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 14598683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).