(2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide

C5H8F3NO2 — CID 170341470

IUPAC(2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2)4(11)3(10)5(6,7)8/h3,10H,1-2H3/t3-/m0/s1
InChIKeyXRKUBPLYQRKZQY-VKHMYHEASA-N
MW171.12 g/mol
LogP-0.00
Rot. Bonds1

About (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide

(2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide (PubChem CID 170341470) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
PubChem CID170341470
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2)4(11)3(10)5(6,7)8/h3,10H,1-2H3/t3-/m0/s1
InChIKeyXRKUBPLYQRKZQY-VKHMYHEASA-N
XLogP-0.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propanamide, 2-hydroxy-N,N-dimethyl-
CID 98053
(2s)-2-Hydroxy-n,n-dimethylpropanamide
CID 816822
2-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54031663
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443
(2S)-2-hydroxy-N,N-bis(2,2,2-trifluoroethyl)propanamide
CID 117774580
N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide
CID 117774729
N-ethyl-2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]acetamide
CID 130657476
N-ethyl-2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 130708897
2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]-N-methylacetamide
CID 130734465
N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
CID 130944845
2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]-N-methylacetamide
CID 131107246
(2S)-N,N-bis(2,2-difluoroethyl)-2-hydroxypropanamide
CID 134261000

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide (CID 170341470) is (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
The InChIKey is XRKUBPLYQRKZQY-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(2)4(11)3(10)5(6,7)8/h3,10H,1-2H3/t3-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide?
(2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide has a molecular weight of 171.12 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 170341470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).