2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide

C6H10F3NO2 — CID 14511496

IUPAC2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(3-12-2)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)/t4-/m0/s1
InChIKeyIFSQENPOGRZXMH-BYPYZUCNSA-N
MW185.14 g/mol
LogP0.70
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 14511496) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID14511496
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(3-12-2)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)/t4-/m0/s1
InChIKeyIFSQENPOGRZXMH-BYPYZUCNSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-methoxyethyl)butanamide
CID 3255117
N-(2-methoxyethyl)trifluoroacetamide
CID 4104851
N-Tfa-L-Alanine methyl ester
CID 14389996
EThyl (2S)-2-(trifluoroacetamido)propanoate
CID 14778326
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)acetamide
CID 84454250
(2-Methoxyl-1-methylethyl) acetamide
CID 5182380
2-Methoxy-N-(propan-2-yl)acetamide
CID 19353620
2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
CID 50989295
Ethyl 2-acetamido-3,3,3-trifluoropropanoate
CID 4168997
Methyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 4231561
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 14511496) is 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is IFSQENPOGRZXMH-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(3-12-2)10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)/t4-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.70, 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-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 14511496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).