N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C10H11F2N5O2S — CID 104857256

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCC(F)(F)CO
InChIInChI=1S/C10H11F2N5O2S/c11-10(12,6-18)5-13-8(19)4-17-15-9(14-16-17)7-2-1-3-20-7/h1-3,18H,4-6H2,(H,13,19)
InChIKeyCKOOXHZJBVGGTG-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.15
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 104857256) has the molecular formula C10H11F2N5O2S and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID104857256
Molecular FormulaC10H11F2N5O2S
Molecular Weight303.29 g/mol
Exact Mass303.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCC(F)(F)CO
InChIInChI=1S/C10H11F2N5O2S/c11-10(12,6-18)5-13-8(19)4-17-15-9(14-16-17)7-2-1-3-20-7/h1-3,18H,4-6H2,(H,13,19)
InChIKeyCKOOXHZJBVGGTG-UHFFFAOYSA-N
XLogP0.15
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 104857256) is N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is CKOOXHZJBVGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O2S/c11-10(12,6-18)5-13-8(19)4-17-15-9(14-16-17)7-2-1-3-20-7/h1-3,18H,4-6H2,(H,13,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 303.29 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 104857256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).