N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide

C6H10F2N6O — CID 114383532

IUPACN-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide
SMILESNCC(F)(F)CNC(=O)Cn1cnnn1
InChIInChI=1S/C6H10F2N6O/c7-6(8,2-9)3-10-5(15)1-14-4-11-12-13-14/h4H,1-3,9H2,(H,10,15)
InChIKeyXQVCSCVCZBBTOJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-1.62
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide

N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 114383532) has the molecular formula C6H10F2N6O and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide
PubChem CID114383532
Molecular FormulaC6H10F2N6O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide
SMILESNCC(F)(F)CNC(=O)Cn1cnnn1
InChIInChI=1S/C6H10F2N6O/c7-6(8,2-9)3-10-5(15)1-14-4-11-12-13-14/h4H,1-3,9H2,(H,10,15)
InChIKeyXQVCSCVCZBBTOJ-UHFFFAOYSA-N
XLogP-1.62
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide (CID 114383532) is N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide is NCC(F)(F)CNC(=O)Cn1cnnn1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is XQVCSCVCZBBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N6O/c7-6(8,2-9)3-10-5(15)1-14-4-11-12-13-14/h4H,1-3,9H2,(H,10,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide?
N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 220.18 g/mol, XLogP of -1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 114383532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).