N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide

C8H15F3N2O2 — CID 63899222

IUPACN-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
SMILESCCCNC(=O)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-3-13-7(15)5-12-4-6(14)8(9,10)11/h6,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyZGUYRIQWVPMLFF-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.03
Rot. Bonds6

About N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide

N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide (PubChem CID 63899222) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
PubChem CID63899222
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide
SMILESCCCNC(=O)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-3-13-7(15)5-12-4-6(14)8(9,10)11/h6,12,14H,2-5H2,1H3,(H,13,15)
InChIKeyZGUYRIQWVPMLFF-UHFFFAOYSA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide?
The IUPAC name of N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide (CID 63899222) is N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide is CCCNC(=O)CNCC(O)C(F)(F)F.
What is the InChIKey of N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide?
The InChIKey is ZGUYRIQWVPMLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-3-13-7(15)5-12-4-6(14)8(9,10)11/h6,12,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide?
N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide has a molecular weight of 228.21 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 63899222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).