N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 115878374

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1(CO)CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-4-7(16)14-8(6-15)2-1-3-8/h13,15H,1-6H2,(H,14,16)
InChIKeyGKGDXRKPXIRWGJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.17
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115878374) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115878374
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1(CO)CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-4-7(16)14-8(6-15)2-1-3-8/h13,15H,1-6H2,(H,14,16)
InChIKeyGKGDXRKPXIRWGJ-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

3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517846
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
N-[1-(hydroxymethyl)cyclohexyl]-2-(prop-2-enylamino)acetamide
CID 79278936
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312278
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 115454888
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 115878374) is N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GKGDXRKPXIRWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-4-7(16)14-8(6-15)2-1-3-8/h13,15H,1-6H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(hydroxymethyl)cyclobutyl]-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-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115878374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).