N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide

C6H11F3N2O2 — CID 118525694

IUPACN-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CC(O)CN)C(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-11(3-4(12)2-10)5(13)6(7,8)9/h4,12H,2-3,10H2,1H3
InChIKeyOZFMQSPTKUKOGV-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.67
Rot. Bonds3

About N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide

N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 118525694) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID118525694
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CC(O)CN)C(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-11(3-4(12)2-10)5(13)6(7,8)9/h4,12H,2-3,10H2,1H3
InChIKeyOZFMQSPTKUKOGV-UHFFFAOYSA-N
XLogP-0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
N-(3-acetylamino-2-hydroxypropyl)acetamide
CID 332254
N,N'-(2-hydroxy-1,3-propanediyl)bis(2,2,3,3,3-pentafluoropropanamide)
CID 2851781
2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
CID 10524722
(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 23170381
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 23170382
2,2-difluoro-N-(2-hydroxyethyl)propanamide
CID 26188900
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 57278446
N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 59473950
2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 60999629
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide (CID 118525694) is N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide is CN(CC(O)CN)C(=O)C(F)(F)F.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is OZFMQSPTKUKOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-11(3-4(12)2-10)5(13)6(7,8)9/h4,12H,2-3,10H2,1H3.
What are the key properties of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 200.16 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 118525694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).