N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H12F6N2O2 — CID 103310404

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNC1C2CCOC2C1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O2/c11-9(12,13)7(10(14,15)16)8(19)18-5-4(17)3-1-2-20-6(3)5/h3-7H,1-2,17H2,(H,18,19)
InChIKeyYBTLBZYHYGRRLM-UHFFFAOYSA-N
MW306.21 g/mol
LogP0.96
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310404) has the molecular formula C10H12F6N2O2 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310404
Molecular FormulaC10H12F6N2O2
Molecular Weight306.21 g/mol
Exact Mass306.08
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNC1C2CCOC2C1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O2/c11-9(12,13)7(10(14,15)16)8(19)18-5-4(17)3-1-2-20-6(3)5/h3-7H,1-2,17H2,(H,18,19)
InChIKeyYBTLBZYHYGRRLM-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310404) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is NC1C2CCOC2C1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is YBTLBZYHYGRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O2/c11-9(12,13)7(10(14,15)16)8(19)18-5-4(17)3-1-2-20-6(3)5/h3-7H,1-2,17H2,(H,18,19).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 306.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).