2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C8H10F3NO2 — CID 80601618

IUPAC2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(NC1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)12-5-3-4-1-2-6(5)14-4/h4-6H,1-3H2,(H,12,13)
InChIKeyRYWNAFUYEZHMJU-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.98
Rot. Bonds1

About 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 80601618) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID80601618
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(NC1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)12-5-3-4-1-2-6(5)14-4/h4-6H,1-3H2,(H,12,13)
InChIKeyRYWNAFUYEZHMJU-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 132346741
2,2,2-trifluoro-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 17330453
3,3,3-trifluoro-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 45812378
2,2,2-trifluoro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 62729341
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]oxolan-3-amine
CID 63335749
2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 79474078
2,2,2-trifluoroethyl N-(7-oxabicyclo[2.2.1]heptan-2-yl)carbamate
CID 80602357
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80602589
N-[3-(2,2,2-trifluoroethoxy)propyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80719353
N-[2-(2,2,2-trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80719468
2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80719983
N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720035

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 80601618) is 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is O=C(NC1CC2CCC1O2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is RYWNAFUYEZHMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7(13)12-5-3-4-1-2-6(5)14-4/h4-6H,1-3H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 209.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 80601618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).