2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide

C7H13F3N2O2 — CID 60647117

IUPAC2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCCO)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5-12-6(14)4-11-2-1-3-13/h11,13H,1-5H2,(H,12,14)
InChIKeyNRZJTBLRUKXLMK-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.36
Rot. Bonds6

About 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60647117) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60647117
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCCO)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5-12-6(14)4-11-2-1-3-13/h11,13H,1-5H2,(H,12,14)
InChIKeyNRZJTBLRUKXLMK-UHFFFAOYSA-N
XLogP-0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60647117) is 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCCO)NCC(F)(F)F.
What is the InChIKey of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NRZJTBLRUKXLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)5-12-6(14)4-11-2-1-3-13/h11,13H,1-5H2,(H,12,14).
What are the key properties of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 214.19 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60647117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).