N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide

C6H9F2N5O2 — CID 104857271

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC(F)(F)CO
InChIInChI=1S/C6H9F2N5O2/c7-6(8,3-14)2-9-5(15)1-13-4-10-11-12-13/h4,14H,1-3H2,(H,9,15)
InChIKeyJSARWZDVWWKFCE-UHFFFAOYSA-N
MW221.17 g/mol
LogP-1.58
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 104857271) has the molecular formula C6H9F2N5O2 and a molecular weight of 221.17 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide
PubChem CID104857271
Molecular FormulaC6H9F2N5O2
Molecular Weight221.17 g/mol
Exact Mass221.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC(F)(F)CO
InChIInChI=1S/C6H9F2N5O2/c7-6(8,3-14)2-9-5(15)1-13-4-10-11-12-13/h4,14H,1-3H2,(H,9,15)
InChIKeyJSARWZDVWWKFCE-UHFFFAOYSA-N
XLogP-1.58
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
CID 104857616
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-(1-amino-2-methylpropan-2-yl)-2-(tetrazol-1-yl)acetamide
CID 63193881
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 113462775
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
4,4-dimethyl-2-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 107473948
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
CID 24702857
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide (CID 104857271) is N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is JSARWZDVWWKFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N5O2/c7-6(8,3-14)2-9-5(15)1-13-4-10-11-12-13/h4,14H,1-3H2,(H,9,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 221.17 g/mol, XLogP of -1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 104857271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).