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

C9H13F3N2O2 — CID 66196514

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide
SMILESNC1C2CCOC2C1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)3-5(15)14-7-6(13)4-1-2-16-8(4)7/h4,6-8H,1-3,13H2,(H,14,15)
InChIKeyYLPMVDSCFPZBAI-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.17
Rot. Bonds2

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

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide (PubChem CID 66196514) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide
PubChem CID66196514
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide
SMILESNC1C2CCOC2C1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)3-5(15)14-7-6(13)4-1-2-16-8(4)7/h4,6-8H,1-3,13H2,(H,14,15)
InChIKeyYLPMVDSCFPZBAI-UHFFFAOYSA-N
XLogP0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.17
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-trifluoropropanamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide (CID 66196514) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide is NC1C2CCOC2C1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide?
The InChIKey is YLPMVDSCFPZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)3-5(15)14-7-6(13)4-1-2-16-8(4)7/h4,6-8H,1-3,13H2,(H,14,15).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3,3,3-trifluoropropanamide has a molecular weight of 238.21 g/mol, XLogP of 0.17, 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-trifluoropropanamide is sourced from PubChem (CID 66196514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).