(1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone

C16H18FNO2 — CID 166099708

IUPAC(1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone
SMILESO=C(N1C[C@@H]2C[C@H]1c1ccccc1O2)C1(F)CCCC1
InChIInChI=1S/C16H18FNO2/c17-16(7-3-4-8-16)15(19)18-10-11-9-13(18)12-5-1-2-6-14(12)20-11/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13-/m0/s1
InChIKeyHKWOHRTZWVIGSY-AAEUAGOBSA-N
MW275.32 g/mol
LogP3.00
Rot. Bonds1

About (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone

(1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone (PubChem CID 166099708) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone
PubChem CID166099708
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone
SMILESO=C(N1C[C@@H]2C[C@H]1c1ccccc1O2)C1(F)CCCC1
InChIInChI=1S/C16H18FNO2/c17-16(7-3-4-8-16)15(19)18-10-11-9-13(18)12-5-1-2-6-14(12)20-11/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13-/m0/s1
InChIKeyHKWOHRTZWVIGSY-AAEUAGOBSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone?
The IUPAC name of (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone (CID 166099708) is (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone.
What is the SMILES notation for (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone?
The canonical SMILES for (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone is O=C(N1C[C@@H]2C[C@H]1c1ccccc1O2)C1(F)CCCC1.
What is the InChIKey of (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone?
The InChIKey is HKWOHRTZWVIGSY-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-16(7-3-4-8-16)15(19)18-10-11-9-13(18)12-5-1-2-6-14(12)20-11/h1-2,5-6,11,13H,3-4,7-10H2/t11-,13-/m0/s1.
What are the key properties of (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone?
(1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone has a molecular weight of 275.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopentyl)-[(1S,9S)-8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]methanone is sourced from PubChem (CID 166099708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).