N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide

C5H9F3N2O2 — CID 10631392

IUPACN-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide
SMILESN[C@H](CO)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)4(12)10-1-3(9)2-11/h3,11H,1-2,9H2,(H,10,12)/t3-/m0/s1
InChIKeyDDSWGSZMNNRGBF-VKHMYHEASA-N
MW186.13 g/mol
LogP-1.02
Rot. Bonds3

About N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide

N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide (PubChem CID 10631392) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide
PubChem CID10631392
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC NameN-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide
SMILESN[C@H](CO)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)4(12)10-1-3(9)2-11/h3,11H,1-2,9H2,(H,10,12)/t3-/m0/s1
InChIKeyDDSWGSZMNNRGBF-VKHMYHEASA-N
XLogP-1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517
2-Trifluoroacetylamino-1,3-propanediol
CID 15540009
N-(3-amino-4-hydroxybutyl)-2,2,2-trifluoroacetamide
CID 54036101
2,2,2-Trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 59815604
2,2,2-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030667
2,2,2-Trifluoro-N-(2-(2-hydroxyethylamino)ethyl)acetamide
CID 87995133
N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 88125061
N-[(2S)-2-amino-1,3-dihydroxypropyl]-2,2,2-trifluoroacetamide
CID 88377068
N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 89421101

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide (CID 10631392) is N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide is N[C@H](CO)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
The InChIKey is DDSWGSZMNNRGBF-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9F3N2O2/c6-5(7,8)4(12)10-1-3(9)2-11/h3,11H,1-2,9H2,(H,10,12)/t3-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide?
N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide has a molecular weight of 186.13 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10631392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).