N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 115668913

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-4-7(15)14-5-8(16)2-1-3-8/h13,16H,1-6H2,(H,14,15)
InChIKeyJZJCXEBORASOPH-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.17
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115668913) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115668913
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-4-7(15)14-5-8(16)2-1-3-8/h13,16H,1-6H2,(H,14,15)
InChIKeyJZJCXEBORASOPH-UHFFFAOYSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N1-((1-hydroxycyclopentyl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754576
2-[(2-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65106159
2-[(1-hydroxycyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111460
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111596
2-(3-ethyl-3-hydroxyazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65930521
2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65939517
2-(3-hydroxy-3-propylazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65943782
2-[(3-hydroxycyclobutyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66005935
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66174657
N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78962880
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79038911
N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039347

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 115668913) is N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JZJCXEBORASOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-4-7(15)14-5-8(16)2-1-3-8/h13,16H,1-6H2,(H,14,15).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115668913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).