(9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C14H12FNO2 — CID 118712873

IUPAC(9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESFc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccoc3)N2O1
InChIInChI=1S/C14H12FNO2/c15-11-1-2-13-10(5-11)6-12-7-14(16(13)18-12)9-3-4-17-8-9/h1-5,8,12,14H,6-7H2/t12-,14+/m1/s1
InChIKeyWAVNIINCFHXLLT-OCCSQVGLSA-N
MW245.25 g/mol
LogP3.23
Rot. Bonds1

About (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 118712873) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID118712873
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESFc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccoc3)N2O1
InChIInChI=1S/C14H12FNO2/c15-11-1-2-13-10(5-11)6-12-7-14(16(13)18-12)9-3-4-17-8-9/h1-5,8,12,14H,6-7H2/t12-,14+/m1/s1
InChIKeyWAVNIINCFHXLLT-OCCSQVGLSA-N
XLogP3.23
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 118712873) is (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Fc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccoc3)N2O1.
What is the InChIKey of (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is WAVNIINCFHXLLT-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-11-1-2-13-10(5-11)6-12-7-14(16(13)18-12)9-3-4-17-8-9/h1-5,8,12,14H,6-7H2/t12-,14+/m1/s1.
What are the key properties of (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 245.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,11S)-5-fluoro-11-(furan-3-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 118712873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).