N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide

C5H9F3N2O2 — CID 23170382

IUPACN-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
SMILESNCC(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)4(12)10-2-3(11)1-9/h3,11H,1-2,9H2,(H,10,12)
InChIKeyNWYNJXBJBPPGMX-UHFFFAOYSA-N
MW186.13 g/mol
LogP-1.02
Rot. Bonds3

About N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide

N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide (PubChem CID 23170382) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
PubChem CID23170382
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC NameN-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
SMILESNCC(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O2/c6-5(7,8)4(12)10-2-3(11)1-9/h3,11H,1-2,9H2,(H,10,12)
InChIKeyNWYNJXBJBPPGMX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide (CID 23170382) is N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide is NCC(O)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
The InChIKey is NWYNJXBJBPPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c6-5(7,8)4(12)10-2-3(11)1-9/h3,11H,1-2,9H2,(H,10,12).
What are the key properties of N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide?
N-(3-amino-2-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-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23170382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).