N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide

C7H13F3N2O2 — CID 123473982

IUPACN-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide
SMILESCC(=O)NCC(O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(13)12-3-6(14)2-11-4-7(8,9)10/h6,11,14H,2-4H2,1H3,(H,12,13)
InChIKeyBDRQGVJDZLFAKF-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.36
Rot. Bonds5

About N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide

N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide (PubChem CID 123473982) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide
PubChem CID123473982
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide
SMILESCC(=O)NCC(O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(13)12-3-6(14)2-11-4-7(8,9)10/h6,11,14H,2-4H2,1H3,(H,12,13)
InChIKeyBDRQGVJDZLFAKF-UHFFFAOYSA-N
XLogP-0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide?
The IUPAC name of N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide (CID 123473982) is N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide?
The canonical SMILES for N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide is CC(=O)NCC(O)CNCC(F)(F)F.
What is the InChIKey of N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide?
The InChIKey is BDRQGVJDZLFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-5(13)12-3-6(14)2-11-4-7(8,9)10/h6,11,14H,2-4H2,1H3,(H,12,13).
What are the key properties of N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide?
N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide has a molecular weight of 214.19 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]acetamide is sourced from PubChem (CID 123473982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).