3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C9H10F6N6O2 — CID 166299405

IUPAC3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCN(Cc1nn[nH]n1)C(=O)C(C)(NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N6O2/c1-7(9(13,14)15,16-5(22)8(10,11)12)6(23)21(2)3-4-17-19-20-18-4/h3H2,1-2H3,(H,16,22)(H,17,18,19,20)
InChIKeyBIEKZDOZSXHBLV-UHFFFAOYSA-N
MW348.21 g/mol
LogP0.16
Rot. Bonds4

About 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 166299405) has the molecular formula C9H10F6N6O2 and a molecular weight of 348.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID166299405
Molecular FormulaC9H10F6N6O2
Molecular Weight348.21 g/mol
Exact Mass348.08
IUPAC Name3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCN(Cc1nn[nH]n1)C(=O)C(C)(NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N6O2/c1-7(9(13,14)15,16-5(22)8(10,11)12)6(23)21(2)3-4-17-19-20-18-4/h3H2,1-2H3,(H,16,22)(H,17,18,19,20)
InChIKeyBIEKZDOZSXHBLV-UHFFFAOYSA-N
XLogP0.16
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 166299405) is 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is CN(Cc1nn[nH]n1)C(=O)C(C)(NC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is BIEKZDOZSXHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N6O2/c1-7(9(13,14)15,16-5(22)8(10,11)12)6(23)21(2)3-4-17-19-20-18-4/h3H2,1-2H3,(H,16,22)(H,17,18,19,20).
What are the key properties of 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 348.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 166299405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).