N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C7H10F3N5O2 — CID 103209251

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H10F3N5O2/c1-4(6-12-14-15-13-6)11-5(16)2-17-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyGLWGRQTUISHVMN-UHFFFAOYSA-N
MW253.18 g/mol
LogP-0.04
Rot. Bonds5

About N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209251) has the molecular formula C7H10F3N5O2 and a molecular weight of 253.18 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209251
Molecular FormulaC7H10F3N5O2
Molecular Weight253.18 g/mol
Exact Mass253.08
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H10F3N5O2/c1-4(6-12-14-15-13-6)11-5(16)2-17-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyGLWGRQTUISHVMN-UHFFFAOYSA-N
XLogP-0.04
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
2-(azetidin-3-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 64612043
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97089813
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60912147
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209251) is N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC(NC(=O)COCC(F)(F)F)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GLWGRQTUISHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O2/c1-4(6-12-14-15-13-6)11-5(16)2-17-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 253.18 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).