2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone

C10H10F3NO2 — CID 10728323

IUPAC2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone
SMILESO=C(N1C[C@H]2C[C@@H]3C=C[C@@]2(C1)O3)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)8(15)14-4-6-3-7-1-2-9(6,5-14)16-7/h1-2,6-7H,3-5H2/t6-,7+,9+/m1/s1
InChIKeySXCBNHFVDMVVRT-FJXKBIBVSA-N
MW233.19 g/mol
LogP1.10
Rot. Bonds

About 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone

2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone (PubChem CID 10728323) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone
PubChem CID10728323
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone
SMILESO=C(N1C[C@H]2C[C@@H]3C=C[C@@]2(C1)O3)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)8(15)14-4-6-3-7-1-2-9(6,5-14)16-7/h1-2,6-7H,3-5H2/t6-,7+,9+/m1/s1
InChIKeySXCBNHFVDMVVRT-FJXKBIBVSA-N
XLogP1.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone (CID 10728323) is 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone is O=C(N1C[C@H]2C[C@@H]3C=C[C@@]2(C1)O3)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone?
The InChIKey is SXCBNHFVDMVVRT-FJXKBIBVSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)8(15)14-4-6-3-7-1-2-9(6,5-14)16-7/h1-2,6-7H,3-5H2/t6-,7+,9+/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone?
2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone has a molecular weight of 233.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(1R,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]ethanone is sourced from PubChem (CID 10728323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).