2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid

C19H22F4N2O5 — CID 155834838

IUPAC2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)N1CCOC2CCC1C2Oc1ncccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21FN2O3.C2HF3O2/c18-12-2-1-7-19-17(12)23-16-13-5-6-14(16)22-9-8-20(13)15(21)10-11-3-4-11;3-2(4,5)1(6)7/h1-2,7,11,13-14,16H,3-6,8-10H2;(H,6,7)
InChIKeyDOIJQPKLLNSBTK-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.79
Rot. Bonds4

About 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid

2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155834838) has the molecular formula C19H22F4N2O5 and a molecular weight of 434.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID155834838
Molecular FormulaC19H22F4N2O5
Molecular Weight434.39 g/mol
Exact Mass434.15
IUPAC Name2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)N1CCOC2CCC1C2Oc1ncccc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H21FN2O3.C2HF3O2/c18-12-2-1-7-19-17(12)23-16-13-5-6-14(16)22-9-8-20(13)15(21)10-11-3-4-11;3-2(4,5)1(6)7/h1-2,7,11,13-14,16H,3-6,8-10H2;(H,6,7)
InChIKeyDOIJQPKLLNSBTK-UHFFFAOYSA-N
XLogP2.79
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-3-methoxypropan-1-one;2,2,2-trifluoroacetic acid
CID 155824886
1-[(4aS,7S,7aR)-7-[(3-fluoro-2-pyridinyl)oxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopropylethanone;2,2,2-trifluoroacetic acid
CID 155834385
[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(furan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155834839
5-ethylsulfonyl-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonane;2,2,2-trifluoroacetic acid
CID 155827318
9-[(3-fluoro-2-pyridinyl)oxy]-N,N-dimethyl-2-oxa-5-azabicyclo[4.2.1]nonane-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 155855709
[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(furan-3-yl)methanone
CID 131647886
[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-pyridazin-4-ylmethanone
CID 124554489
9-[(3-fluoro-2-pyridinyl)oxy]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxa-5-azabicyclo[4.2.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155828562
[(1S,6S,9R)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(5-methylfuran-2-yl)methanone
CID 98812428
[(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]-(1,3-thiazol-4-yl)methanone
CID 124554497
(1S,6S,9S)-9-[(3-fluoro-2-pyridinyl)oxy]-5-methylsulfonyl-2-oxa-5-azabicyclo[4.2.1]nonane
CID 124784027
[(4aS,7S,7aR)-7-[(3-fluoro-2-pyridinyl)oxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827282

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid (CID 155834838) is 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid is O=C(CC1CC1)N1CCOC2CCC1C2Oc1ncccc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DOIJQPKLLNSBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3.C2HF3O2/c18-12-2-1-7-19-17(12)23-16-13-5-6-14(16)22-9-8-20(13)15(21)10-11-3-4-11;3-2(4,5)1(6)7/h1-2,7,11,13-14,16H,3-6,8-10H2;(H,6,7).
What are the key properties of 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid?
2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 434.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[9-[(3-fluoro-2-pyridinyl)oxy]-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).