2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C10H15F3N2O2 — CID 80719983

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(N)(C(=O)NC1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-9(14,10(11,12)13)8(16)15-6-4-5-2-3-7(6)17-5/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyCWAHQYQGSGGINQ-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.70
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 80719983) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID80719983
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(N)(C(=O)NC1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-9(14,10(11,12)13)8(16)15-6-4-5-2-3-7(6)17-5/h5-7H,2-4,14H2,1H3,(H,15,16)
InChIKeyCWAHQYQGSGGINQ-UHFFFAOYSA-N
XLogP0.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 80719983) is 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is CC(N)(C(=O)NC1CC2CCC1O2)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is CWAHQYQGSGGINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-9(14,10(11,12)13)8(16)15-6-4-5-2-3-7(6)17-5/h5-7H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 252.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 80719983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).