2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C10H16FNO2 — CID 130165220

IUPAC2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)(F)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-7-5-6-3-4-8(7)14-6/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyXUKKZOBWUUUCCZ-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.17
Rot. Bonds2

About 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 130165220) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID130165220
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)(F)C(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-7-5-6-3-4-8(7)14-6/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyXUKKZOBWUUUCCZ-UHFFFAOYSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.17
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-methyl-N-(oxolan-2-ylethyl)propanamide
CID 17330448
2,2,2-trifluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80601618
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80602589
2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80719983
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 80721149
N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 81106835
2,2-difluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 103515856
2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 103760523
2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 112686174
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113480886
2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 114038229

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 130165220) is 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is CC(C)(F)C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is XUKKZOBWUUUCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-7-5-6-3-4-8(7)14-6/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 201.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 130165220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).