2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide

C6H10F3NO2 — CID 130006525

IUPAC2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
SMILESC[C@H](CO)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(3-11)2-10-5(12)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)/t4-/m0/s1
InChIKeyVIOVRBSUHYUKTI-BYPYZUCNSA-N
MW185.14 g/mol
LogP0.29
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide

2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide (PubChem CID 130006525) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
PubChem CID130006525
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
SMILESC[C@H](CO)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(3-11)2-10-5(12)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)/t4-/m0/s1
InChIKeyVIOVRBSUHYUKTI-BYPYZUCNSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
CID 130901653
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
N-(4-bromo-2-methyl-3-oxobutyl)-2,2,2-trifluoroacetamide
CID 104701210
1-[(2,2,2-trifluoroacetyl)amino]propane-2-sulfonyl chloride
CID 84707964
N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide
CID 130913971
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
CID 65036532
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
2-methyl-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 80538397
4-[(3-hydroxy-2-methylpropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77055671
N-ethyl-2,2,2-trifluoroacetamide
CID 581108

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide (CID 130006525) is 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide is C[C@H](CO)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide?
The InChIKey is VIOVRBSUHYUKTI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(3-11)2-10-5(12)6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)/t4-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide?
2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide is sourced from PubChem (CID 130006525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).