2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C12H19F2NO2 — CID 104857208

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(F)(F)CO
InChIInChI=1S/C12H19F2NO2/c13-12(14,7-16)6-15-11(17)5-10-4-8-1-2-9(10)3-8/h8-10,16H,1-7H2,(H,15,17)
InChIKeyXNQVSTXPJLFENE-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.56
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104857208) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104857208
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(F)(F)CO
InChIInChI=1S/C12H19F2NO2/c13-12(14,7-16)6-15-11(17)5-10-4-8-1-2-9(10)3-8/h8-10,16H,1-7H2,(H,15,17)
InChIKeyXNQVSTXPJLFENE-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104857208) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(CC1CC2CCC1C2)NCC(F)(F)CO.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is XNQVSTXPJLFENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c13-12(14,7-16)6-15-11(17)5-10-4-8-1-2-9(10)3-8/h8-10,16H,1-7H2,(H,15,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 247.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104857208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).